Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(NC3(c4cccs4)CCCC3)CC2)cc1 |
MW: | 405.589 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.43 |
cLogP: | 3.4234 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-39
0.625
WAR-XCH-b6889685-41
0.622
WAR-XCH-b6889685-40
0.584
WAR-XCH-b6889685-36
0.577
WAR-XCH-b6889685-37
0.577
WAR-XCH-b6889685-38
0.536
WAR-XCH-b6889685-33
0.528
WAR-XCH-b6889685-46
0.507
WAR-XCH-b6889685-24
0.479
WAR-XCH-b6889685-23
0.478
WAR-XCH-b6889685-31
0.467
WAR-XCH-b6889685-29
0.466
WAR-XCH-b6889685-30
0.442
WAR-XCH-b6889685-64
0.436
WAR-XCH-b6889685-25
0.434
WAR-XCH-b6889685-26
0.434
WAR-XCH-b6889685-3
0.432
WAR-XCH-b6889685-22
0.425
WAR-XCH-b6889685-27
0.425
WAR-XCH-b6889685-32
0.423
WAR-XCH-b6889685-43
0.423
WAR-XCH-b6889685-35
0.422
WAR-XCH-b6889685-45
0.412
WAR-XCH-b72a1bbc-32
0.409
WAR-XCH-b6889685-44
0.407
WAR-XCH-b72a1bbc-14
0.406
WAR-XCH-b72a1bbc-9
0.406
WAR-XCH-b72a1bbc-6
0.400
WAR-XCH-b72a1bbc-16
0.400
WAR-XCH-b6889685-49
0.400
WAR-XCH-b72a1bbc-11
0.397
WAR-XCH-b6889685-19
0.395
WAR-XCH-b72a1bbc-18
0.395
WAR-XCH-b6889685-28
0.393
WAR-XCH-b72a1bbc-10
0.392
WAR-XCH-b6889685-47
0.390
WAR-XCH-b6889685-53
0.389
WAR-XCH-b72a1bbc-15
0.387
WAR-XCH-b72a1bbc-7
0.387
WAR-XCH-b6889685-48
0.386
WAR-XCH-b6889685-34
0.385
WAR-XCH-b6889685-54
0.384
WAR-XCH-b72a1bbc-5
0.382
WAR-XCH-b72a1bbc-12
0.382
WAR-XCH-b72a1bbc-23
0.378
WAR-XCH-b72a1bbc-37
0.378
WAR-XCH-b72a1bbc-20
0.377
WAR-XCH-b6889685-55
0.377
WAR-XCH-b72a1bbc-1
0.373
WAR-XCH-b72a1bbc-19
0.372
WAR-XCH-b72a1bbc-40
0.369
WAR-XCH-b6889685-20
0.368
WAR-XCH-b72a1bbc-44
0.366
WAR-XCH-b6889685-2
0.365
WAR-XCH-b72a1bbc-39
0.364
WAR-XCH-b72a1bbc-48
0.364
WAR-XCH-b72a1bbc-21
0.362
WAR-XCH-b72a1bbc-36
0.361
WAR-XCH-b72a1bbc-43
0.361
WAR-XCH-b6889685-16
0.360
WAR-XCH-b72a1bbc-47
0.360
WAR-XCH-b72a1bbc-49
0.359
WAR-XCH-b6889685-59
0.358
WAR-XCH-b72a1bbc-42
0.357
WAR-XCH-b72a1bbc-46
0.356
WAR-XCH-b72a1bbc-45
0.356
WAR-XCH-b72a1bbc-33
0.354
WAR-XCH-b6889685-62
0.354
WAR-XCH-b72a1bbc-8
0.353
WAR-XCH-b72a1bbc-35
0.352
WAR-XCH-b6889685-56
0.350
WAR-XCH-b6889685-15
0.349
WAR-XCH-b6889685-18
0.349
WAR-XCH-b72a1bbc-41
0.349
WAR-XCH-b6889685-61
0.348
WAR-XCH-b6889685-57
0.346
WAR-XCH-b6889685-58
0.345
WAR-XCH-b6889685-1
0.345
WAR-XCH-b6889685-17
0.345
WAR-XCH-b6889685-6
0.345
WAR-XCH-b72a1bbc-29
0.344
WAR-XCH-b72a1bbc-31
0.344
WAR-XCH-b72a1bbc-17
0.341
WAR-XCH-b6889685-7
0.341
WAR-XCH-b72a1bbc-28
0.341
WAR-XCH-b72a1bbc-26
0.340
WAR-XCH-b6889685-60
0.340
WAR-XCH-b6889685-63
0.337
WAR-XCH-b6889685-21
0.337
WAR-XCH-b6889685-14
0.337
WAR-XCH-b6889685-12
0.333
WAR-XCH-b72a1bbc-25
0.333
WAR-XCH-b72a1bbc-30
0.333
WAR-XCH-b72a1bbc-34
0.333
WAR-XCH-b6889685-10
0.333
SAD-SAT-89668ff1-6
0.330
WAR-XCH-b6889685-5
0.326
WAR-XCH-b6889685-4
0.326
WAR-XCH-b6889685-50
0.323
WAR-XCH-b72a1bbc-38
0.322