Molecular Properties | |
SMILES: | O=C(Cc1ccccn1)c1nc(O)sc1CCl |
MW: | 268.01 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.08 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-14
0.557
MAR-TRE-aca67d11-77
0.483
MAR-TRE-aca67d11-72
0.466
MAR-TRE-aca67d11-75
0.458
MAR-TRE-aca67d11-46
0.456
MAR-TRE-aca67d11-60
0.441
MAR-TRE-aca67d11-35
0.438
MAR-TRE-aca67d11-20
0.435
MAR-TRE-aca67d11-68
0.435
MAR-TRE-aca67d11-64
0.429
MAR-TRE-aca67d11-45
0.426
MAR-TRE-aca67d11-21
0.422
MAR-TRE-aca67d11-33
0.420
MAR-TRE-aca67d11-76
0.420
MAR-TRE-aca67d11-90
0.419
MAR-TRE-aca67d11-55
0.415
MAR-TRE-aca67d11-59
0.413
MAR-TRE-aca67d11-40
0.413
MAR-TRE-aca67d11-100
0.413
MAR-TRE-aca67d11-47
0.409
MAR-TRE-aca67d11-79
0.409
MAR-TRE-aca67d11-19
0.403
MAR-TRE-aca67d11-16
0.400
MAR-TRE-aca67d11-63
0.400
MAR-TRE-aca67d11-10
0.397
MAR-TRE-aca67d11-11
0.397
MAR-TRE-aca67d11-41
0.395
MAR-TRE-aca67d11-94
0.394
MAR-TRE-aca67d11-95
0.394
MAR-TRE-aca67d11-53
0.381
MAR-TRE-aca67d11-30
0.380
MAR-TRE-aca67d11-26
0.377
MAR-TRE-aca67d11-97
0.377
MAR-TRE-aca67d11-44
0.375
MAR-TRE-aca67d11-38
0.375
MAR-TRE-aca67d11-71
0.375
MAR-TRE-aca67d11-18
0.370
MAR-TRE-aca67d11-28
0.368
MAR-TRE-aca67d11-93
0.368
MAR-TRE-aca67d11-12
0.368
MAR-TRE-aca67d11-27
0.365
MAR-TRE-aca67d11-81
0.362
MAR-TRE-aca67d11-29
0.361
MAR-TRE-aca67d11-37
0.359
MAR-TRE-aca67d11-78
0.359
MAR-TRE-aca67d11-74
0.358
MAR-TRE-aca67d11-23
0.357
MAR-TRE-aca67d11-89
0.357
MAR-TRE-aca67d11-34
0.357
MAR-TRE-aca67d11-85
0.357
MAR-TRE-aca67d11-66
0.356
MAR-TRE-aca67d11-4
0.356
MAR-TRE-aca67d11-65
0.354
MAR-TRE-aca67d11-31
0.352
MAR-TRE-aca67d11-83
0.352
MAR-TRE-aca67d11-39
0.352
MAR-TRE-aca67d11-58
0.348
MAR-TRE-aca67d11-54
0.348
MAR-TRE-aca67d11-70
0.343
MAR-TRE-aca67d11-7
0.342
MAR-TRE-aca67d11-96
0.338
MAR-TRE-aca67d11-13
0.338
MAR-TRE-aca67d11-3
0.338
MAR-TRE-aca67d11-86
0.333
MAR-TRE-aca67d11-56
0.333
MAR-TRE-aca67d11-8
0.333
MAR-TRE-aca67d11-49
0.333
MAR-TRE-aca67d11-52
0.333
MAR-TRE-aca67d11-67
0.333
MAR-TRE-aca67d11-82
0.333
MAR-TRE-aca67d11-84
0.329
MAR-TRE-aca67d11-5
0.329
MAR-TRE-aca67d11-1
0.329
MAR-TRE-aca67d11-69
0.329
MAR-TRE-aca67d11-15
0.325
MAR-TRE-aca67d11-36
0.325
JON-UIO-066ce08b-3
0.324
MAR-TRE-aca67d11-48
0.321
MAR-TRE-aca67d11-9
0.321
MAR-TRE-aca67d11-80
0.319
MAR-TRE-aca67d11-25
0.315
MAR-TRE-aca67d11-73
0.307
MAR-TRE-aca67d11-22
0.307
MAR-TRE-aca67d11-42
0.306
MAR-TRE-aca67d11-62
0.303
MAR-TRE-aca67d11-2
0.303
MAR-TRE-aca67d11-43
0.303
DRR-IMP-38dce17f-5
0.300
MAR-TRE-aca67d11-91
0.297
MAR-TRE-423310b6-84
0.297
MAR-TRE-aca67d11-87
0.273
MAR-TRE-c8530538-98
0.271
LON-WEI-5e7d1b3e-49
0.271
LON-WEI-4d77710c-49
0.271
JUL-TUD-06b2044f-155
0.259
MAR-TRE-c8530538-47
0.258
MAR-TRE-d3c2bf0e-62
0.257
MAR-TRE-d3c2bf0e-57
0.250
MAR-TRE-aca67d11-92
0.247
AAR-POS-0daf6b7e-37
0.245