Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(N3CCSCC3)CC2)cc1 |
MW: | 341.502 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 66.64 |
cLogP: | 1.3516 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-11
0.679
WAR-XCH-b72a1bbc-10
0.667
WAR-XCH-b72a1bbc-1
0.612
WAR-XCH-b72a1bbc-21
0.548
WAR-XCH-b6889685-51
0.507
WAR-XCH-b6889685-53
0.500
WAR-XCH-b72a1bbc-9
0.500
WAR-XCH-b72a1bbc-14
0.500
WAR-XCH-b72a1bbc-6
0.484
WAR-XCH-b72a1bbc-5
0.484
WAR-XCH-b72a1bbc-15
0.468
WAR-XCH-b6889685-54
0.467
WAR-XCH-b72a1bbc-16
0.460
WAR-XCH-b72a1bbc-23
0.459
WAR-XCH-b6889685-23
0.459
WAR-XCH-b6889685-52
0.456
WAR-XCH-b6889685-55
0.453
WAR-XCH-b6889685-33
0.448
WAR-XCH-b6889685-20
0.444
WAR-XCH-b72a1bbc-7
0.444
WAR-XCH-b6889685-32
0.441
WAR-XCH-b72a1bbc-39
0.438
WAR-XCH-b6889685-24
0.438
WAR-XCH-b72a1bbc-48
0.438
WAR-XCH-b72a1bbc-13
0.436
WAR-XCH-b6889685-64
0.435
WAR-XCH-b72a1bbc-20
0.431
WAR-XCH-b72a1bbc-49
0.431
WAR-XCH-b72a1bbc-18
0.431
WAR-XCH-b6889685-45
0.429
WAR-XCH-b6889685-46
0.429
WAR-XCH-b72a1bbc-37
0.429
WAR-XCH-b6889685-31
0.426
WAR-XCH-b6889685-59
0.426
WAR-XCH-b72a1bbc-19
0.424
WAR-XCH-b6889685-29
0.424
WAR-XCH-b6889685-44
0.423
WAR-XCH-b6889685-62
0.420
WAR-XCH-b6889685-56
0.418
WAR-XCH-b6889685-26
0.412
WAR-XCH-b6889685-25
0.412
WAR-XCH-b6889685-57
0.412
WAR-XCH-b6889685-58
0.408
WAR-XCH-b72a1bbc-36
0.408
WAR-XCH-b6889685-19
0.408
WAR-XCH-b72a1bbc-17
0.406
WAR-XCH-b6889685-22
0.403
WAR-XCH-b72a1bbc-33
0.400
WAR-XCH-b6889685-30
0.400
WAR-XCH-b6889685-43
0.400
WAR-XCH-b72a1bbc-40
0.397
WAR-XCH-b72a1bbc-8
0.397
WAR-XCH-b6889685-63
0.397
WAR-XCH-b6889685-21
0.397
WAR-XCH-b6889685-14
0.395
WAR-XCH-b6889685-15
0.394
WAR-XCH-b72a1bbc-44
0.394
WAR-XCH-b6889685-3
0.392
WAR-XCH-b6889685-10
0.392
WAR-XCH-b6889685-2
0.392
WAR-XCH-b6889685-41
0.390
WAR-XCH-b6889685-13
0.390
WAR-XCH-b72a1bbc-43
0.389
WAR-XCH-b6889685-39
0.387
WAR-XCH-b6889685-1
0.387
WAR-XCH-b6889685-4
0.384
WAR-XCH-b6889685-5
0.384
WAR-XCH-b6889685-27
0.384
WAR-XCH-b72a1bbc-42
0.384
WAR-XCH-b6889685-47
0.384
WAR-XCH-b6889685-35
0.382
WAR-XCH-b6889685-42
0.382
WAR-XCH-b6889685-48
0.378
WAR-XCH-b6889685-18
0.373
WAR-XCH-b72a1bbc-34
0.373
WAR-XCH-b72a1bbc-41
0.373
WAR-XCH-b6889685-12
0.372
WAR-XCH-b6889685-61
0.372
WAR-XCH-b72a1bbc-30
0.370
WAR-XCH-b6889685-28
0.368
WAR-XCH-b6889685-6
0.368
WAR-XCH-b6889685-17
0.368
WAR-XCH-b72a1bbc-47
0.368
WAR-XCH-b6889685-16
0.368
WAR-XCH-b72a1bbc-31
0.366
WAR-XCH-b72a1bbc-45
0.364
WAR-XCH-b6889685-7
0.364
WAR-XCH-b72a1bbc-46
0.364
WAR-XCH-b72a1bbc-28
0.362
WAR-XCH-b6889685-40
0.362
WAR-XCH-b72a1bbc-35
0.359
WAR-XCH-b72a1bbc-38
0.359
WAR-XCH-b6889685-49
0.359
WAR-XCH-b6889685-37
0.358
WAR-XCH-b6889685-36
0.358
WAR-XCH-b6889685-11
0.354
WAR-XCH-b72a1bbc-32
0.354
WAR-XCH-b72a1bbc-24
0.354
SAD-SAT-89668ff1-6
0.351
WAR-XCH-b6889685-8
0.350