UPCMLD Library Scaffolds

Scaffold No. Structure Properties (Average±SD) Link to QikProp File
1 Number of Compounds 246
Purity -
Molecular Weight (g/mol) 479 ± 128
Amount (mg) 15.5 ± 6.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculation N		  
2 (UPCMLD 2a) Number of Compounds 179
Purity (%) 94 ± 8.5
Molecular Weight (g/mol) 614 ± 63
Amount (mg) 11.6 ± 5.9
ClogP 6.6 ± 1.3
Number of H-Bond Donors 0.5 ± 0.7
Number of H-Bond Acceptors 9.6 ± 1.3
QikProp Calculations Y		 QP 1B
3 (UPCMLD 1b) Number of Compounds 42
Purity (%) 93 ± 5.4
Molecular Weight (g/mol) 398 ± 51
Amount (mg) 12.7 ± 5.9
ClogP 6.4 ± 1.1
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 3.3 ± 1.2
QikProp Calculations Y		 QP 1A
4 Number of Compounds 33
Purity -
Molecular Weight (g/mol) 629 ± 76
Amount (mg) 13.2 ± 4.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N		  
5 Number of Compounds 32
Purity -
Molecular Weight (g/mol) 270 ± 29
Amount (mg) 16.4 ± 2.5
ClogP 5.8 ± 0.6
Number of H-Bond Donors 0.5 ± 0.5
Number of H-Bond Acceptors 1.9 ± 0.2
QikProp Calculations Y		 QP 1D
6 Number of Compounds 32
Purity -
Molecular Weight (g/mol) 476 ± 115
Amount (mg) 26.8 ± 20.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N		  
7 (UPCMLD 1a) Number of Compounds 30
Purity (%) 96 ± 4.7
Molecular Weight (g/mol) 419 ± 56
Amount (mg) 15.8 ± 4.7
ClogP 5.8 ± 1.0
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 5.0 ± 1.5
QikProp Calculations Y		 QP 3A
8 Number of Compounds 22
Purity -
Molecular Weight (g/mol) 473 ± 105
Amount (mg) 5.4 ± 1.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
9 Number of Compounds 16
Purity -
Molecular Weight (g/mol) 248 ± 42
Amount (mg)13.6 ± 6.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
10 Number of Compounds 15
Purity -
Molecular Weight (g/mol) 347 ± 37
Amount (mg) 6.2 ± 2.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
11 Number of Compounds 15
Purity -
Molecular Weight (g/mol) 425 ± 47
Amount (mg) 16.1 ± 4.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
12 Number of Compounds 15
Purity -
Molecular Weight (g/mol) 406 ± 106
Amount (mg) 15.0 ± 7.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
13 Number of Compounds 15
Purity(%) 92 ± 4.37
Molecular Weight (g/mol) 355 ± 61
Amount (mg) 11.4 ± 5.2
ClogP 4.5 ± 0.8
Number of H-Bond Donors 0.2 ± 0.6
Number of H-Bond Acceptors 4.3 ± 1.0
QikProp Calculations Y		 QP 2E
14 Number of Compounds 14
Purity -
Molecular Weight (g/mol) 532 ± 79
Amount (mg)3.9 ± 2.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
15 Number of Compounds 11
Purity -
Molecular Weight (g/mol) 219 ± 19
Amount (mg) 19.2 ± 0.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
16 Number of Compounds 11
Purity(%) 95 ± 4.9
Molecular Weight (g/mol) 342 ± 61
Amount (mg) 11.1 ± 6.2
ClogP 5.3 ± 0.8
Number of H-Bond Donors 1.1 ± 0.2
Number of H-Bond Acceptors 2.8 ± 0.6
QikProp Calculations Y		 QP 2A
17 Number of Compounds 11
Purity -
Molecular Weight (g/mol) 592 ± 86
Amount (mg) 4.4 ± 1.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
18 Number of Compounds 11
Purity (%) 96 ± 4.37
Molecular Weight (g/mol) 238 ± 29
Amount (mg) 10.3 ± 6.5
ClogP 3.5 ± 0.8
Number of H-Bond Donors 0.0
Number of H-Bond Acceptors 2.8 ± 0.7
QikProp Calculations Y		 OP 3E
19 Number of Compounds 10
Purity -
Molecular Weight (g/mol) 436 ± 54
Amount (mg) 6.0 ± 1.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
20 Number of Compounds 8
Purity -
Molecular Weight (g/mol) 413 ± 65
Amount (mg) 5.8 ± 2.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
21 Number of Compounds 8
Purity -
Molecular Weight (g/mol) 402 ± 85
Amount (mg) 6.9 ± 5.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
22 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 485 ± 33
Amount (mg) 10.3 ± 4.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
23 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 443 ± 44
Amount (mg) 18.0 ± 3.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
24 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 421 ± 63
Amount (mg) 17.2 ± 4.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
25 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 346 ± 156
Amount (mg) 10.0 ± 14.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
26 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 363 ± 12
Amount (mg) 5.9 ± 0.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
27 Number of Compounds 7
Purity -
Molecular Weight (g/mol) 215 ± 62
Amount (mg) 17.4 ± 9.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
28 Number of Compounds 7
Purity -
Molecular Weight (g/mol)170 ± 55
Amount (mg) 18.4 ± 4.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
29 Number of Compounds 6
Purity -
Molecular Weight (g/mol) 307 ± 70
Amount -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
30 Number of Compounds 6
Purity -
Molecular Weight (g/mol) 435 ± 21
Amount (mg) 21.0 ± 23.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
31 Number of Compounds 6
Purity -
Molecular Weight (g/mol) 333 ± 52
Amount (mg) 8.7 ± 6.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
32 Number of Compounds 6
Purity -
Molecular Weight (g/mol) 462 ± 127
Amount (mg) 15.1 ± 6.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
33 Number of Compounds 6
Purity -
Molecular Weight (g/mol) 665 ± 81
Amount (mg) 6.1 ± 5.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
34 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 505 ± 60
Amount (mg) 7.0 ± 6.8
ClogP 6.9 ± 1.0
Number of H-Bond Donors 0 ± 0
Number of H-Bond Acceptors 5.5 ± 0
QikProp Calculations Y		 QP 3D
35 Number of Compounds 5
Purity -
Molecular Weight (g/mol)426 ± 7
Amount (mg) 5.6 ± 0.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
36 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 781 ± 34
Amount (mg) 3.5 ± 1.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
37 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 235 ± 51
Amount (mg) 13.4 ± 7.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
38 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 297 ± 66
Amount (mg) 12.2 ± 7.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
39 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 403 ± 87
Amount (mg) 11.8 ± 9.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
40 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 238 ± 125
Amount (mg) 8.9 ± 6.67
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
41 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 346 ± 65
Amount (mg) 4.5 ± 4.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
42 Number of Compounds 5
Purity -
Molecular Weight (g/mol) 222 ± 36
Amount (mg) 19.6 ± 0.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
43 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 281 ± 48
Amount (mg) 19.8 ± 0.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
44 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 223 ± 43
Amount (mg) 9.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
45 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 254 ± 8
Amount (mg) 19.8 ± 0.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
46 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 248 ± 53
Amount (mg) 13.0 ± 5.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
47 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 308 ± 45
Amount (mg) 10.7 ± 6.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
48 Number of Compounds 4
Purity -
Molecular Weight (g/mol) 198 ± 21
Amount (mg)19.6 ± 0.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
49 Number of Compounds 4
Purity(%) 97 ± 3.32
Molecular Weight (g/mol) 210 ± 20
Amount (mg) 17.2 ± 3.0
ClogP 3.2 ± 0.4
Number of H-Bond Donors 1.3 ± 0.3
Number of H-Bond Acceptors 3.1 ± 1.0
QikProp Calculations Y		 QP 1E
50 Number of Compounds 4
Purity (%) 97 ± 5.4
Molecular Weight (g/mol) 239 ± 19
Amount (mg) 12.6 ± 4.4
ClogP 3.7 ± 0.5
Number of H-Bond Donors 0.3 ± 0.5
Number of H-Bond Acceptors 2.0 ± 0.8
QikProp Calculations Y		 QP 10E
51 Number of Compounds 3
Purity (%) 84 ± 17.2
Molecular Weight (g/mol) 564 ± 115
Amount (mg) 19.5 ± 0.4
ClogP 7.3 ± 0.4
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 7.9 ± 7.2
QikProp Calculations Y		 QP 1C
52 Number of Compounds 3
Purity (%) 91 ± 13.1
Molecular Weight (g/mol) 397 ± 9
Amount (mg) 4.7 ± 1.97
ClogP 5.1 ± 0.7
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 6.7 ± 1.2
QikProp Calculations Y		 QP 4C
53 Number of Compounds 3
Purity (%) 100
Molecular Weight (g/mol) 412 ± 8
Amount (mg) 7.3 ± 6.2
ClogP 4.5 ± 0.3
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 7.3 ± 0
QikProp Calculations Y		 QP 7C
54 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 531 ± 35
Amount (mg) 5.9 ± 5.4
ClogP 7.6 ± 0.5
Number of H-Bond Donors 0 ± 0
Number of H-Bond Acceptors 5.5 ± 0
QikProp Calculations Y		 QP 2D
55 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 334 ± 63
Amount -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
56 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 151 ± 44
Amount (mg) 10.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
57 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 291 ± 32
Amount (mg) 6.6 ± 0.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
58 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 144 ± 9
Amount (mg)14.3 ± 4.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
59 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 159 ± 22
Amount (mg) 15.9 ± 3.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
60 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 290 ± 144
Amount (mg) 8 ± 8.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
61 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 195 ± 81
Amount (mg) 10.7 ± 8.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
62 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 239 ± 86
Amount (mg) 12.2± 6.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
63 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 270 ± 77
Amount (mg) 7.4 ± 5.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
64 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 402 ±10
Amount (mg)19.8 ± 0.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
65 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 316 ± 149
Amount (mg)19.6 ± 0.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
66 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 212 ± 13
Amount (mg)18.7 ± 1.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
67 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 185 ± 33
Amount (mg) 18.2 ± 1.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
68 Number of Compounds 3
Purity -
Molecular Weight (g/mol) 267 ± 17
Amount (mg) 19.6 ± 0.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
69 Number of Compounds 3
Purity (%) 94 ± 4.9
Molecular Weight (g/mol) 314 ± 20
Amount (mg) 14.7 ± 4.9
ClogP 5.5 ± 0.4
Number of H-Bond Donors 1.7 ± 0.6
Number of H-Bond Acceptors 2.5 ± 0
QikProp Calculations Y		 QP 4E
70 Number of Compounds 2
Purity (%) 92 ± 0.5
Molecular Weight (g/mol) 444 ± 47
Amount (mg) 13.7 ± 7.8
ClogP 7.7 ± 1.4
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 3.3 ± 1.1
QikProp Calculations Y		 QP 4A
71 Number of Compounds 2
Purity (%) 84 ± 6.5
Molecular Weight (g/mol) 479 ± 20
Amount (mg) 7.4 ± 0.8
ClogP 5.5 ± 0.1
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 8 ± 0
QikProp Calculations Y		 QP 5C
72 Number of Compounds 2
Purity (%) 99 ± 4.5
Molecular Weight (g/mol) 420 ± 112
Amount (mg) 17.8 ± 0.5
ClogP 5.3 ± 0.8
Number of H-Bond Donors 0.5 ± 0.7
Number of H-Bond Acceptors 5.7 ± 2.8
QikProp Calculations Y		 QP 6C
73 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 276 ± 35
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
74 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 672 ± 10
Amount (mg) 4.7 ± 0.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
75 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 314 ± 10
Amount (mg) 2.7 ± 1.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
76 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 218 ± 0
Amount (mg) 15.6 ± 2.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
77 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 385 ± 1
Amount (mg) 15.3 ± 7.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
78 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 174 ± 10
Amount (mg) 12.7 ± 0.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
79 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 310 ± 1
Amount (mg) 15.6 ± 2.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
80 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 383 ± 118
Amount (mg) 18.3 ± 1.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
81 Number of Compounds 2
Purity -
Molecular Weight (g/mol)282 ± 10
Amount (mg) 19.0 ± 10.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
82 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 275.3 ± 0
Amount (mg) 11.1 ± 3.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
83 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 483 ± 149
Amount (mg) 22.5 ± 6.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
84 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 278 ± 0
Amount (mg) 12.8 ± 7.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
85 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 284 ± 22
Amount (mg) 20.7 ± 9.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
86 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 267 ± 10
Amount (mg) 20.1 ± 0.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
87 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 319 ± 169
Amount (mg) 11 ± 5.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
88 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 546 ± 20
Amount (mg) 11.1 ± 4.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
89 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 281 ± 58
Amount (mg) 18.6 ± 0.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
90 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 523 ± 46
Amount (mg) 19.8 ± 0.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
91 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 632 ± 197
Amount (mg) 14.6 ± 8.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
92 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 308 ± 44
Amount (mg) 17.6 ± 3.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
93 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 345 ± 10
Amount (mg) 19.7 ± 0.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
94 Number of Compounds 2
Purity -
Molecular Weight (g/mol) 291 ± 22
Amount (mg) 19.7 ± 0.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
95 Number of Compounds 2
Purity (%) 97 ± 4.62
Molecular Weight (g/mol) 191 ± 3
Amount (mg) 18.0 ± 0.5
ClogP 2.9 ± 0.9
Number of H-Bond Donors 2 ± 0.7
Number of H-Bond Acceptors 1.9 ± 1.2
QikProp Calculations Y		 QP 5E
96 Number of Compounds 2
Purity (%) 91 ± 6.1
Molecular Weight (g/mol) 284 ± 14
Amount (mg) 14.3 ± 7.1
ClogP 5.0 ± 0.2
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 1 ± 0
QikProp Calculations Y		 QP 6E
97 Number of Compounds 2
Purity (%) 100
Molecular Weight (g/mol) 314 ± 32
Amount (mg) 18.4 ± 1.4
ClogP 4.5 ± 0.9
Number of H-Bond Donors 1 ± 0
Number of H-Bond Acceptors 2.5 ± 0
QikProp Calculations Y		 QP 8E
98 Number of Compounds 1
Purity (%) 100
Molecular Weight (g/mol) 215
Amount (mg) 9.4
ClogP 2.3
Number of H-Bond Donors 0.0
Number of H-Bond Acceptors 3.0
QikProp Calculations Y		 QP 2C
99 Number of Compounds 1
Purity (%) 95
Molecular Weight (g/mol) 500
Amount (mg) 18.2
ClogP 6.6
Number of H-Bond Donors 1.0
Number of H-Bond Acceptors 7.3
QikProp Calculations Y		 QP 3C
100 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 359
Amount (mg) 38.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
101 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 375
Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
102 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 436
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
103 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 751
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
104 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 338
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
105 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 278
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
106 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 390
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
107 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 336
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
108 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 259
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
109 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 148
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
110 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 618
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
111 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 218
Amount (mg) -
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
112 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 538
Amount (mg) 4.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
113 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 574
Amount (mg) 4.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
114 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 201
Amount (mg) 1.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
115 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 343
Amount (mg) 4.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
116 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 327
Amount (mg) 44.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
117 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 313 Amount (mg) 50.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
118 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 308 Amount (mg) 20.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
119 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 296 Amount (mg) 19.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
120 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 266
Amount (mg) 3.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
121 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 156 Amount (mg) 10.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
122 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 108 Amount (mg) 16.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
123 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 238 Amount (mg) 21.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
124 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 394 Amount (mg) 17.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
125 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 295
Amount (mg) 7.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
126 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 151
Amount (mg) 5.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
127 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 314 Amount (mg) 14.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
128 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 423
Amount (mg) 3.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
129 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 313 Amount (mg) 10.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
130 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 302 Amount (mg) 12.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
131 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 245 Amount (mg) 27.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
132 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 275 Amount (mg) 10.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
133 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 197 Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
134 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 685
Amount (mg) 5.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
135 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 416
Amount (mg) 6.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
136 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 373 Amount (mg) 20.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
137 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 596
Amount (mg) 8.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
138 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 290
Amount (mg) 7.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
139 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 262 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
140 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 394 Amount (mg) 24.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
141 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 343 Amount (mg) 18.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
142 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 265 Amount (mg) 10.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
143 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 274
Amount (mg) 3.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
144 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 315 Amount (mg) 17.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
145 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 189 Amount (mg) 17.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
147 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 418 Amount (mg) 18.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
149 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 327
Amount (mg) 9.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
150 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 289
Amount (mg) 4.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
151 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 711 Amount (mg) 26.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
152 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 159
Amount (mg) 0.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
153

Number of Compounds 1
Purity -
Molecular Weight (g/mol) 356 Amount (mg) 19.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N

 
154 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 180 Amount (mg) 17.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
155 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 379 Amount (mg) 51.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
156 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 263 Amount (mg) 19.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
157 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 191 Amount (mg) 19.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
158 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 343 Amount (mg) 19.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
159 Number of Compounds 1
Purity -
Molecular Weight (g/mol)326
Amount (mg) 18.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
161 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 308 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
162 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 215 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
163 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 656
Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
164 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 499 Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
165 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 392
Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
166 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 345
Amount (mg) 2.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
167 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 154
Amount (mg) 1.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
168 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 346
Amount (mg) 3.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
169 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 635 Amount (mg) 19.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
170 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 517 Amount (mg) 20.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
171 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 330 Amount (mg) 19.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
172 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 813 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
173 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 221 Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
174 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 635 Amount (mg) 19.2
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
175 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 252 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
176 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 265
Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
177 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 173 Amount (mg) 19.4
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
178 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 146 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
179 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 194 Amount (mg) 19.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
180 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 463
Amount (mg) 3.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
181 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 226 Amount (mg) 19.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
182 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 311 Amount (mg) 20.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
183 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 101 Amount (mg) 19.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
184 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 132 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
185 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 352 Amount (mg) 39.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
186 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 297 Amount (mg) 19.9
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
187 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 393 Amount (mg) 20.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
188 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 132 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
189 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 236 Amount (mg) 19.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
190 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 170 Amount (mg) 19.8
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
192 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 293 Amount (mg) 19.3
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
193 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 298 Amount (mg) 20.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
194 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 260 Amount (mg) 20.1
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
196 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 312 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
197 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 508 Amount (mg) 19.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
198 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 291 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
199 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 285 Amount (mg) 19.7
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
200 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 235 Amount (mg) 19.5
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
201 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 195
Amount (mg) 4.0
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
202 Number of Compounds 1
Purity -
Molecular Weight (g/mol) 256 Amount (mg) 54.6
ClogP -
Number of H-Bond Donors -
Number of H-Bond Acceptors -
QikProp Calculations N 		 
203 Number of Compounds 1
Purity 100
Molecular Weight (g/mol) 307 Amount (mg) 19.0
ClogP 5.3
Number of H-Bond Donors 1.0
Number of H-Bond Acceptors 3.3
QikProp Calculations Y		 QP 7E
204 Number of Compounds 1
Purity 92
Molecular Weight (g/mol) 333 Amount (mg) 19.5
ClogP 2.5
Number of H-Bond Donors 0.0
Number of H-Bond Acceptors 6.0
QikProp Calculations N 		QP 9E
       

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