Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CSc3ccco3)CC2)cc1 |
MW: | 352.481 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.54 |
cLogP: | 2.9357 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-37
0.557
WAR-XCH-b72a1bbc-36
0.557
WAR-XCH-b72a1bbc-41
0.556
WAR-XCH-b72a1bbc-39
0.554
WAR-XCH-b72a1bbc-40
0.542
WAR-XCH-b72a1bbc-34
0.534
WAR-XCH-b72a1bbc-35
0.533
WAR-XCH-b72a1bbc-38
0.533
WAR-XCH-b72a1bbc-14
0.525
WAR-XCH-b72a1bbc-7
0.515
WAR-XCH-b72a1bbc-33
0.507
WAR-XCH-b6889685-20
0.493
WAR-XCH-b72a1bbc-23
0.485
WAR-XCH-b72a1bbc-48
0.464
WAR-XCH-b72a1bbc-21
0.458
WAR-XCH-b72a1bbc-49
0.457
WAR-XCH-b72a1bbc-20
0.457
WAR-XCH-b72a1bbc-19
0.451
WAR-XCH-b6889685-4
0.447
WAR-XCH-b72a1bbc-9
0.431
WAR-XCH-b6889685-16
0.430
WAR-XCH-b6889685-22
0.429
WAR-XCH-b6889685-54
0.426
WAR-XCH-b72a1bbc-44
0.421
WAR-XCH-b6889685-15
0.421
WAR-XCH-b6889685-23
0.420
WAR-XCH-b6889685-10
0.418
WAR-XCH-b6889685-18
0.418
WAR-XCH-b6889685-3
0.418
WAR-XCH-b6889685-46
0.416
WAR-XCH-b6889685-19
0.416
WAR-XCH-b72a1bbc-43
0.416
WAR-XCH-b72a1bbc-47
0.412
WAR-XCH-b6889685-6
0.412
WAR-XCH-b6889685-17
0.412
WAR-XCH-b6889685-9
0.412
WAR-XCH-b6889685-53
0.412
WAR-XCH-b6889685-29
0.411
WAR-XCH-b6889685-5
0.410
WAR-XCH-b6889685-8
0.410
WAR-XCH-b6889685-43
0.408
WAR-XCH-b72a1bbc-45
0.407
WAR-XCH-b72a1bbc-46
0.407
WAR-XCH-b6889685-7
0.407
WAR-XCH-b6889685-48
0.405
WAR-XCH-b6889685-21
0.405
WAR-XCH-b6889685-24
0.403
WAR-XCH-b72a1bbc-5
0.403
WAR-XCH-b72a1bbc-6
0.403
WAR-XCH-b6889685-14
0.402
WAR-XCH-b6889685-49
0.402
WAR-XCH-b6889685-26
0.400
WAR-XCH-b72a1bbc-11
0.400
WAR-XCH-b6889685-2
0.400
WAR-XCH-b6889685-11
0.398
WAR-XCH-b6889685-13
0.398
WAR-XCH-b6889685-45
0.397
WAR-XCH-b72a1bbc-18
0.397
WAR-XCH-b6889685-1
0.395
WAR-XCH-b6889685-33
0.395
WAR-XCH-b72a1bbc-10
0.394
WAR-XCH-b6889685-44
0.392
WAR-XCH-b6889685-47
0.392
WAR-XCH-b6889685-62
0.390
WAR-XCH-b6889685-30
0.390
WAR-XCH-b72a1bbc-15
0.389
WAR-XCH-b72a1bbc-28
0.388
WAR-XCH-b6889685-56
0.387
WAR-XCH-b72a1bbc-26
0.386
WAR-XCH-b72a1bbc-12
0.384
WAR-XCH-b72a1bbc-16
0.384
WAR-XCH-b6889685-57
0.382
WAR-XCH-b6889685-25
0.382
WAR-XCH-b6889685-12
0.381
WAR-XCH-b6889685-58
0.380
WAR-XCH-b72a1bbc-32
0.379
WAR-XCH-b6889685-55
0.378
WAR-XCH-b6889685-28
0.378
WAR-XCH-b72a1bbc-25
0.378
WAR-XCH-b6889685-59
0.377
WAR-XCH-b6889685-31
0.377
WAR-XCH-b72a1bbc-1
0.375
WAR-XCH-b6889685-27
0.375
WAR-XCH-b6889685-32
0.372
WAR-XCH-b6889685-63
0.370
WAR-XCH-b72a1bbc-8
0.370
WAR-XCH-b6889685-64
0.367
WAR-XCH-b72a1bbc-24
0.364
WAR-XCH-b72a1bbc-30
0.364
WAR-XCH-b72a1bbc-22
0.363
WAR-XCH-b72a1bbc-27
0.362
WAR-XCH-b6889685-39
0.361
WAR-XCH-b72a1bbc-29
0.360
WAR-XCH-b72a1bbc-31
0.360
WAR-XCH-b72a1bbc-17
0.359
WAR-XCH-b6889685-42
0.357
WAR-XCH-b6889685-37
0.352
WAR-XCH-b6889685-38
0.344
WAR-XCH-b6889685-35
0.341
WAR-XCH-b6889685-40
0.341