Molecular Properties | |
SMILES: | Cc1ccncc1SCC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 |
MW: | 377.535 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.29 |
cLogP: | 3.04612 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-36
0.606
WAR-XCH-b72a1bbc-35
0.579
WAR-XCH-b72a1bbc-17
0.542
WAR-XCH-b72a1bbc-41
0.539
WAR-XCH-b72a1bbc-39
0.536
WAR-XCH-b72a1bbc-42
0.533
WAR-XCH-b72a1bbc-37
0.520
WAR-XCH-b72a1bbc-40
0.506
WAR-XCH-b72a1bbc-34
0.500
WAR-XCH-b72a1bbc-23
0.493
WAR-XCH-b72a1bbc-49
0.486
WAR-XCH-b72a1bbc-14
0.485
WAR-XCH-b6889685-20
0.479
WAR-XCH-b72a1bbc-33
0.474
WAR-XCH-b72a1bbc-48
0.472
WAR-XCH-b6889685-23
0.451
WAR-XCH-b72a1bbc-20
0.446
WAR-XCH-b72a1bbc-19
0.440
WAR-XCH-b6889685-16
0.439
WAR-XCH-b72a1bbc-15
0.438
WAR-XCH-b6889685-47
0.438
WAR-XCH-b6889685-54
0.437
WAR-XCH-b6889685-48
0.432
WAR-XCH-b6889685-15
0.430
WAR-XCH-b72a1bbc-21
0.429
WAR-XCH-b72a1bbc-43
0.425
WAR-XCH-b6889685-11
0.424
WAR-XCH-b6889685-53
0.423
WAR-XCH-b72a1bbc-9
0.420
WAR-XCH-b6889685-4
0.420
WAR-XCH-b6889685-63
0.415
WAR-XCH-b6889685-49
0.412
WAR-XCH-b6889685-58
0.407
WAR-XCH-b6889685-59
0.405
WAR-XCH-b6889685-6
0.405
WAR-XCH-b6889685-5
0.402
WAR-XCH-b72a1bbc-45
0.400
WAR-XCH-b6889685-30
0.400
WAR-XCH-b6889685-56
0.397
WAR-XCH-b6889685-14
0.395
WAR-XCH-b72a1bbc-44
0.395
WAR-XCH-b6889685-3
0.393
WAR-XCH-b6889685-10
0.393
WAR-XCH-b6889685-18
0.393
WAR-XCH-b6889685-2
0.393
WAR-XCH-b6889685-25
0.392
WAR-XCH-b6889685-57
0.392
WAR-XCH-b6889685-13
0.391
WAR-XCH-b6889685-19
0.390
WAR-XCH-b6889685-9
0.389
WAR-XCH-b6889685-17
0.388
WAR-XCH-b6889685-1
0.388
WAR-XCH-b6889685-8
0.386
WAR-XCH-b6889685-22
0.386
WAR-XCH-b6889685-7
0.384
WAR-XCH-b6889685-43
0.383
WAR-XCH-b6889685-62
0.383
WAR-XCH-b6889685-21
0.381
WAR-XCH-b72a1bbc-6
0.377
WAR-XCH-b72a1bbc-5
0.377
WAR-XCH-b6889685-24
0.377
WAR-XCH-b6889685-26
0.375
WAR-XCH-b6889685-12
0.375
WAR-XCH-b72a1bbc-24
0.374
WAR-XCH-b72a1bbc-11
0.373
WAR-XCH-b72a1bbc-47
0.372
WAR-XCH-b6889685-55
0.372
WAR-XCH-b72a1bbc-18
0.372
WAR-XCH-b6889685-33
0.370
WAR-XCH-b6889685-27
0.369
WAR-XCH-b72a1bbc-10
0.368
WAR-XCH-b72a1bbc-46
0.368
WAR-XCH-b6889685-29
0.367
WAR-XCH-b6889685-40
0.367
WAR-XCH-b72a1bbc-8
0.365
WAR-XCH-b72a1bbc-7
0.364
WAR-XCH-b6889685-64
0.361
WAR-XCH-b72a1bbc-12
0.359
WAR-XCH-b72a1bbc-16
0.359
WAR-XCH-b6889685-45
0.357
WAR-XCH-b6889685-46
0.357
WAR-XCH-b72a1bbc-4
0.356
WAR-XCH-b6889685-31
0.354
WAR-XCH-b6889685-44
0.353
WAR-XCH-b72a1bbc-28
0.352
WAR-XCH-b72a1bbc-26
0.351
WAR-XCH-b6889685-32
0.349
WAR-XCH-b72a1bbc-1
0.348
WAR-XCH-b72a1bbc-30
0.344
WAR-XCH-b72a1bbc-32
0.344
WAR-XCH-b72a1bbc-25
0.344
WAR-XCH-b6889685-28
0.341
WAR-XCH-b72a1bbc-31
0.340
WAR-XCH-b72a1bbc-29
0.340
WAR-XCH-b72a1bbc-27
0.330
WAR-XCH-b72a1bbc-22
0.330
WAR-XCH-b6889685-61
0.330
WAR-XCH-b6889685-39
0.326
WAR-XCH-b6889685-60
0.323
WAR-XCH-b6889685-35
0.322