Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(Nc3ccsc3)CC2)cc1 |
MW: | 337.47 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.43 |
cLogP: | 2.4764 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-35
0.667
WAR-XCH-b6889685-29
0.623
WAR-XCH-b6889685-26
0.603
WAR-XCH-b6889685-25
0.603
WAR-XCH-b6889685-33
0.569
WAR-XCH-b72a1bbc-16
0.565
WAR-XCH-b6889685-27
0.559
WAR-XCH-b6889685-32
0.537
WAR-XCH-b6889685-23
0.516
WAR-XCH-b6889685-24
0.516
WAR-XCH-b6889685-30
0.515
WAR-XCH-b6889685-41
0.514
WAR-XCH-b72a1bbc-37
0.500
WAR-XCH-b6889685-34
0.494
MAK-UNK-212f693e-14
0.492
WAR-XCH-b72a1bbc-9
0.483
WAR-XCH-b6889685-19
0.479
WAR-XCH-b6889685-46
0.479
MAK-UNK-212f693e-20
0.476
WAR-XCH-b6889685-28
0.473
WAR-XCH-b6889685-42
0.467
WAR-XCH-b72a1bbc-14
0.459
WAR-XCH-b6889685-45
0.458
MAK-UNK-212f693e-19
0.455
WAR-XCH-b6889685-12
0.455
MAK-UNK-212f693e-33
0.455
WAR-XCH-b6889685-44
0.452
WAR-XCH-b6889685-43
0.451
WAR-XCH-b72a1bbc-6
0.448
MAK-UNK-212f693e-13
0.448
WAR-XCH-b6889685-53
0.438
WAR-XCH-b72a1bbc-7
0.433
WAR-XCH-b6889685-47
0.432
WAR-XCH-b6889685-54
0.431
WAR-XCH-b6889685-48
0.427
WAR-XCH-b72a1bbc-5
0.426
WAR-XCH-b72a1bbc-12
0.426
WAR-XCH-b72a1bbc-11
0.424
WAR-XCH-b72a1bbc-23
0.424
WAR-XCH-b72a1bbc-1
0.424
WAR-XCH-b72a1bbc-18
0.420
WAR-XCH-b72a1bbc-43
0.419
WAR-XCH-b72a1bbc-10
0.418
WAR-XCH-b6889685-39
0.416
WAR-XCH-b72a1bbc-15
0.412
WAR-XCH-b6889685-20
0.412
WAR-XCH-b72a1bbc-29
0.410
WAR-XCH-b72a1bbc-40
0.408
WAR-XCH-b72a1bbc-39
0.406
WAR-XCH-b72a1bbc-48
0.406
WAR-XCH-b72a1bbc-44
0.405
WAR-XCH-b6889685-64
0.405
WAR-XCH-b6889685-49
0.405
WAR-XCH-b72a1bbc-21
0.403
WAR-XCH-b72a1bbc-20
0.400
WAR-XCH-b72a1bbc-49
0.400
WAR-XCH-b6889685-55
0.400
WAR-XCH-b72a1bbc-47
0.397
WAR-XCH-b6889685-59
0.397
WAR-XCH-b6889685-22
0.395
WAR-XCH-b72a1bbc-19
0.394
WAR-XCH-b72a1bbc-45
0.392
WAR-XCH-b6889685-40
0.390
WAR-XCH-b6889685-56
0.389
WAR-XCH-b6889685-36
0.386
WAR-XCH-b6889685-37
0.386
WAR-XCH-b6889685-2
0.385
WAR-XCH-b6889685-3
0.385
WAR-XCH-b6889685-57
0.384
WAR-XCH-b72a1bbc-36
0.382
WAR-XCH-b72a1bbc-17
0.378
WAR-XCH-b72a1bbc-42
0.377
WAR-XCH-b72a1bbc-46
0.375
WAR-XCH-b72a1bbc-33
0.373
WAR-XCH-b6889685-62
0.373
WAR-XCH-b6889685-21
0.372
WAR-XCH-b72a1bbc-8
0.372
WAR-XCH-b6889685-14
0.370
WAR-XCH-b6889685-15
0.368
WAR-XCH-b72a1bbc-34
0.367
WAR-XCH-b72a1bbc-41
0.367
WAR-XCH-b6889685-58
0.364
SAD-SAT-89668ff1-6
0.362
WAR-XCH-b6889685-1
0.362
WAR-XCH-b6889685-16
0.362
WAR-XCH-b6889685-38
0.360
WAR-XCH-b6889685-5
0.359
WAR-XCH-b6889685-4
0.359
WAR-XCH-b6889685-63
0.354
WAR-XCH-b72a1bbc-38
0.354
WAR-XCH-b72a1bbc-35
0.354
WAR-XCH-b6889685-18
0.350
WAR-XCH-b6889685-10
0.350
WAR-XCH-b6889685-13
0.349
WAR-XCH-b72a1bbc-32
0.349
WAR-XCH-b6889685-6
0.346
WAR-XCH-b6889685-17
0.346
WAR-XCH-b72a1bbc-31
0.345
WAR-XCH-b6889685-7
0.341
WAR-XCH-b6889685-11
0.333