Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CSC3CCCCC3)CC2)cc1 |
MW: | 368.568 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 63.4 |
cLogP: | 3.6163 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-39
0.581
WAR-XCH-b72a1bbc-14
0.552
WAR-XCH-b72a1bbc-20
0.523
WAR-XCH-b72a1bbc-19
0.515
WAR-XCH-b72a1bbc-37
0.514
WAR-XCH-b72a1bbc-36
0.514
WAR-XCH-b72a1bbc-23
0.508
WAR-XCH-b72a1bbc-42
0.507
WAR-XCH-b72a1bbc-40
0.500
WAR-XCH-b72a1bbc-34
0.493
WAR-XCH-b72a1bbc-41
0.493
WAR-XCH-b6889685-20
0.492
WAR-XCH-b6889685-43
0.486
WAR-XCH-b6889685-24
0.485
WAR-XCH-b72a1bbc-48
0.485
WAR-XCH-b72a1bbc-49
0.478
WAR-XCH-b6889685-55
0.478
WAR-XCH-b72a1bbc-35
0.474
WAR-XCH-b72a1bbc-38
0.474
WAR-XCH-b72a1bbc-11
0.462
WAR-XCH-b6889685-15
0.458
WAR-XCH-b72a1bbc-44
0.458
WAR-XCH-b72a1bbc-21
0.457
WAR-XCH-b72a1bbc-10
0.455
WAR-XCH-b72a1bbc-43
0.452
WAR-XCH-b72a1bbc-9
0.452
WAR-XCH-b6889685-54
0.446
WAR-XCH-b6889685-23
0.439
WAR-XCH-b72a1bbc-18
0.435
WAR-XCH-b6889685-10
0.434
WAR-XCH-b6889685-19
0.432
WAR-XCH-b6889685-53
0.431
WAR-XCH-b72a1bbc-47
0.429
WAR-XCH-b6889685-4
0.427
WAR-XCH-b6889685-5
0.427
WAR-XCH-b6889685-22
0.427
WAR-XCH-b72a1bbc-45
0.423
WAR-XCH-b72a1bbc-46
0.423
WAR-XCH-b6889685-21
0.421
WAR-XCH-b6889685-3
0.416
WAR-XCH-b6889685-2
0.416
WAR-XCH-b6889685-18
0.416
WAR-XCH-b6889685-1
0.410
WAR-XCH-b6889685-6
0.410
WAR-XCH-b6889685-16
0.410
WAR-XCH-b6889685-17
0.410
WAR-XCH-b6889685-9
0.410
WAR-XCH-b6889685-8
0.407
WAR-XCH-b72a1bbc-15
0.406
WAR-XCH-b72a1bbc-7
0.406
WAR-XCH-b6889685-7
0.405
WAR-XCH-b72a1bbc-28
0.402
WAR-XCH-b6889685-14
0.400
WAR-XCH-b72a1bbc-5
0.400
WAR-XCH-b72a1bbc-6
0.400
WAR-XCH-b72a1bbc-12
0.400
WAR-XCH-b72a1bbc-16
0.400
WAR-XCH-b72a1bbc-26
0.400
WAR-XCH-b6889685-57
0.397
WAR-XCH-b6889685-26
0.397
WAR-XCH-b6889685-12
0.395
WAR-XCH-b6889685-11
0.395
WAR-XCH-b6889685-13
0.395
WAR-XCH-b72a1bbc-1
0.393
WAR-XCH-b72a1bbc-32
0.393
WAR-XCH-b72a1bbc-24
0.393
WAR-XCH-b72a1bbc-30
0.393
WAR-XCH-b72a1bbc-17
0.392
WAR-XCH-b72a1bbc-25
0.391
WAR-XCH-b6889685-29
0.389
WAR-XCH-b72a1bbc-29
0.388
WAR-XCH-b72a1bbc-31
0.388
WAR-XCH-b6889685-48
0.385
WAR-XCH-b6889685-56
0.384
WAR-XCH-b6889685-25
0.378
WAR-XCH-b6889685-45
0.377
WAR-XCH-b6889685-46
0.377
WAR-XCH-b6889685-58
0.377
WAR-XCH-b6889685-39
0.375
WAR-XCH-b72a1bbc-27
0.374
WAR-XCH-b6889685-59
0.373
WAR-XCH-b6889685-31
0.373
WAR-XCH-b6889685-33
0.373
WAR-XCH-b6889685-44
0.372
WAR-XCH-b6889685-47
0.372
WAR-XCH-b6889685-62
0.368
WAR-XCH-b6889685-30
0.368
WAR-XCH-b6889685-32
0.368
WAR-XCH-b72a1bbc-8
0.367
WAR-XCH-b6889685-64
0.364
WAR-XCH-b72a1bbc-22
0.360
WAR-XCH-b6889685-28
0.358
WAR-XCH-b6889685-27
0.354
WAR-XCH-b6889685-35
0.354
WAR-XCH-b6889685-42
0.354
WAR-XCH-b6889685-63
0.350
WAR-XCH-b6889685-49
0.349
WAR-XCH-b6889685-37
0.349
WAR-XCH-b6889685-41
0.345
WAR-XCH-b6889685-61
0.345