Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCCC(c4ccsc4)C3)CC2)cc1 |
MW: | 419.616 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 3.4915 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-28
0.697
WAR-XCH-b72a1bbc-24
0.679
WAR-XCH-b6889685-12
0.671
WAR-XCH-b72a1bbc-26
0.662
WAR-XCH-b72a1bbc-25
0.646
WAR-XCH-b72a1bbc-32
0.637
WAR-XCH-b72a1bbc-30
0.617
WAR-XCH-b72a1bbc-31
0.610
WAR-XCH-b72a1bbc-16
0.577
WAR-XCH-b72a1bbc-20
0.548
WAR-XCH-b72a1bbc-27
0.544
WAR-XCH-b72a1bbc-19
0.541
WAR-XCH-b72a1bbc-21
0.506
WAR-XCH-b6889685-10
0.482
WAR-XCH-b72a1bbc-37
0.481
WAR-XCH-b6889685-14
0.465
WAR-XCH-b6889685-19
0.463
WAR-XCH-b6889685-11
0.460
WAR-XCH-b6889685-13
0.460
WAR-XCH-b6889685-8
0.455
WAR-XCH-b72a1bbc-14
0.444
WAR-XCH-b6889685-20
0.442
WAR-XCH-b72a1bbc-22
0.436
WAR-XCH-b72a1bbc-39
0.436
WAR-XCH-b72a1bbc-49
0.430
WAR-XCH-b6889685-9
0.424
WAR-XCH-b72a1bbc-48
0.418
WAR-XCH-b72a1bbc-23
0.416
WAR-XCH-b6889685-31
0.410
WAR-XCH-b6889685-3
0.398
WAR-XCH-b6889685-4
0.391
WAR-XCH-b6889685-5
0.391
WAR-XCH-b6889685-22
0.391
WAR-XCH-b72a1bbc-33
0.388
WAR-XCH-b72a1bbc-40
0.386
WAR-XCH-b6889685-54
0.385
WAR-XCH-b6889685-2
0.382
WAR-XCH-b6889685-41
0.380
WAR-XCH-b72a1bbc-36
0.379
WAR-XCH-b72a1bbc-43
0.379
WAR-XCH-b6889685-1
0.378
WAR-XCH-b6889685-7
0.374
WAR-XCH-b6889685-35
0.374
WAR-XCH-b6889685-21
0.371
WAR-XCH-b72a1bbc-15
0.370
WAR-XCH-b72a1bbc-7
0.370
WAR-XCH-b72a1bbc-9
0.368
WAR-XCH-b6889685-15
0.368
WAR-XCH-b72a1bbc-44
0.368
WAR-XCH-b72a1bbc-34
0.367
WAR-XCH-b72a1bbc-5
0.366
WAR-XCH-b72a1bbc-6
0.366
WAR-XCH-b6889685-46
0.364
WAR-XCH-b6889685-6
0.363
WAR-XCH-b6889685-17
0.363
WAR-XCH-b72a1bbc-11
0.362
WAR-XCH-b6889685-23
0.362
WAR-XCH-b72a1bbc-42
0.360
WAR-XCH-b72a1bbc-46
0.359
WAR-XCH-b72a1bbc-10
0.358
WAR-XCH-b6889685-43
0.356
WAR-XCH-b6889685-53
0.354
WAR-XCH-b6889685-64
0.352
WAR-XCH-b72a1bbc-41
0.352
WAR-XCH-b6889685-18
0.352
WAR-XCH-b6889685-24
0.349
WAR-XCH-b72a1bbc-12
0.349
WAR-XCH-b6889685-57
0.349
WAR-XCH-b6889685-45
0.348
WAR-XCH-b72a1bbc-47
0.348
WAR-XCH-b6889685-16
0.348
WAR-XCH-b6889685-55
0.345
WAR-XCH-b72a1bbc-18
0.345
WAR-XCH-b6889685-33
0.345
WAR-XCH-b6889685-44
0.344
WAR-XCH-b72a1bbc-45
0.344
WAR-XCH-b6889685-42
0.344
WAR-XCH-b6889685-62
0.341
WAR-XCH-b6889685-48
0.341
WAR-XCH-b72a1bbc-35
0.340
WAR-XCH-b72a1bbc-38
0.340
WAR-XCH-b72a1bbc-1
0.338
WAR-XCH-b6889685-56
0.337
WAR-XCH-b6889685-26
0.333
WAR-XCH-b6889685-47
0.330
WAR-XCH-b6889685-59
0.330
WAR-XCH-b72a1bbc-17
0.330
WAR-XCH-b6889685-49
0.326
WAR-XCH-b72a1bbc-8
0.326
WAR-XCH-b6889685-30
0.326
WAR-XCH-b6889685-32
0.326
WAR-XCH-b6889685-29
0.326
WAR-XCH-b6889685-61
0.323
WAR-XCH-b72a1bbc-13
0.320
WAR-XCH-b6889685-58
0.319
WAR-XCH-b6889685-25
0.318
WAR-XCH-b6889685-63
0.312
WAR-XCH-b6889685-51
0.309
SAD-SAT-89668ff1-6
0.305
WAR-XCH-b6889685-28
0.305