Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(COc3ccsc3)CC2)cc1 |
MW: | 352.481 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.63 |
cLogP: | 2.6909 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-15
0.646
WAR-XCH-b6889685-22
0.627
WAR-XCH-b72a1bbc-23
0.590
WAR-XCH-b6889685-18
0.586
WAR-XCH-b6889685-16
0.577
WAR-XCH-b6889685-17
0.577
WAR-XCH-b6889685-20
0.571
WAR-XCH-b6889685-21
0.571
WAR-XCH-b72a1bbc-37
0.543
WAR-XCH-b72a1bbc-14
0.533
WAR-XCH-b72a1bbc-16
0.515
WAR-XCH-b6889685-12
0.494
WAR-XCH-b72a1bbc-43
0.479
WAR-XCH-b6889685-31
0.479
WAR-XCH-b72a1bbc-39
0.471
WAR-XCH-b72a1bbc-48
0.471
WAR-XCH-b72a1bbc-21
0.465
WAR-XCH-b72a1bbc-20
0.464
WAR-XCH-b72a1bbc-49
0.464
WAR-XCH-b72a1bbc-29
0.463
WAR-XCH-b6889685-3
0.461
WAR-XCH-b72a1bbc-9
0.460
WAR-XCH-b72a1bbc-19
0.457
WAR-XCH-b72a1bbc-44
0.446
WAR-XCH-b6889685-46
0.440
WAR-XCH-b72a1bbc-36
0.440
WAR-XCH-b6889685-41
0.438
WAR-XCH-b6889685-4
0.434
WAR-XCH-b6889685-54
0.433
WAR-XCH-b72a1bbc-33
0.432
WAR-XCH-b6889685-35
0.430
WAR-XCH-b72a1bbc-40
0.429
WAR-XCH-b72a1bbc-34
0.423
WAR-XCH-b72a1bbc-41
0.423
WAR-XCH-b6889685-2
0.423
WAR-XCH-b6889685-33
0.419
WAR-XCH-b6889685-53
0.418
WAR-XCH-b6889685-1
0.418
WAR-XCH-b72a1bbc-47
0.418
WAR-XCH-b72a1bbc-32
0.417
WAR-XCH-b72a1bbc-42
0.416
WAR-XCH-b6889685-5
0.416
WAR-XCH-b72a1bbc-7
0.414
WAR-XCH-b72a1bbc-15
0.414
WAR-XCH-b6889685-43
0.413
WAR-XCH-b72a1bbc-45
0.412
WAR-XCH-b72a1bbc-46
0.412
WAR-XCH-b6889685-24
0.408
WAR-XCH-b72a1bbc-5
0.408
WAR-XCH-b72a1bbc-12
0.408
WAR-XCH-b72a1bbc-6
0.408
WAR-XCH-b6889685-64
0.408
WAR-XCH-b6889685-14
0.407
WAR-XCH-b72a1bbc-35
0.407
WAR-XCH-b72a1bbc-11
0.406
WAR-XCH-b6889685-23
0.406
WAR-XCH-b6889685-10
0.405
WAR-XCH-b72a1bbc-1
0.403
WAR-XCH-b72a1bbc-18
0.403
WAR-XCH-b6889685-13
0.402
WAR-XCH-b72a1bbc-10
0.400
WAR-XCH-b6889685-6
0.400
WAR-XCH-b6889685-42
0.395
WAR-XCH-b6889685-7
0.395
WAR-XCH-b6889685-32
0.395
WAR-XCH-b6889685-56
0.392
WAR-XCH-b72a1bbc-38
0.390
WAR-XCH-b6889685-57
0.387
WAR-XCH-b6889685-25
0.387
WAR-XCH-b6889685-26
0.387
WAR-XCH-b6889685-11
0.386
WAR-XCH-b6889685-45
0.385
WAR-XCH-b72a1bbc-24
0.384
WAR-XCH-b72a1bbc-30
0.384
WAR-XCH-b6889685-55
0.384
WAR-XCH-b72a1bbc-17
0.382
WAR-XCH-b6889685-59
0.382
WAR-XCH-b6889685-8
0.381
WAR-XCH-b6889685-44
0.380
WAR-XCH-b6889685-47
0.380
WAR-XCH-b72a1bbc-31
0.379
WAR-XCH-b6889685-29
0.378
WAR-XCH-b72a1bbc-28
0.376
WAR-XCH-b6889685-48
0.375
WAR-XCH-b6889685-9
0.368
WAR-XCH-b72a1bbc-26
0.360
WAR-XCH-b6889685-30
0.359
WAR-XCH-b6889685-62
0.359
WAR-XCH-b72a1bbc-8
0.358
WAR-XCH-b6889685-36
0.356
WAR-XCH-b6889685-37
0.356
WAR-XCH-b72a1bbc-22
0.352
WAR-XCH-b72a1bbc-25
0.352
WAR-XCH-b6889685-58
0.350
WAR-XCH-b6889685-28
0.349
WAR-XCH-b6889685-39
0.349
WAR-XCH-b6889685-27
0.346
WAR-XCH-b6889685-63
0.341
WAR-XCH-b6889685-49
0.341
WAR-XCH-b72a1bbc-27
0.337