Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCCC(c4cccc5ccccc45)C3)CC2)cc1 |
MW: | 463.647 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 4.5832 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-9
0.725
WAR-XCH-b72a1bbc-28
0.619
WAR-XCH-b72a1bbc-26
0.573
WAR-XCH-b72a1bbc-32
0.568
WAR-XCH-b72a1bbc-25
0.560
WAR-XCH-b72a1bbc-24
0.551
WAR-XCH-b72a1bbc-30
0.551
WAR-XCH-b72a1bbc-29
0.544
WAR-XCH-b72a1bbc-31
0.544
WAR-XCH-b72a1bbc-20
0.538
WAR-XCH-b72a1bbc-19
0.532
WAR-XCH-b6889685-10
0.494
WAR-XCH-b6889685-11
0.489
WAR-XCH-b6889685-8
0.467
WAR-XCH-b72a1bbc-21
0.464
WAR-XCH-b6889685-14
0.446
WAR-XCH-b6889685-12
0.441
WAR-XCH-b6889685-13
0.441
WAR-XCH-b6889685-28
0.440
WAR-XCH-b72a1bbc-22
0.434
WAR-XCH-b6889685-52
0.406
WAR-XCH-b72a1bbc-14
0.405
WAR-XCH-b6889685-38
0.402
WAR-XCH-b6889685-20
0.388
WAR-XCH-b72a1bbc-39
0.384
WAR-XCH-b72a1bbc-23
0.381
WAR-XCH-b6889685-7
0.375
WAR-XCH-b72a1bbc-33
0.374
WAR-XCH-b72a1bbc-40
0.372
WAR-XCH-b72a1bbc-41
0.368
WAR-XCH-b72a1bbc-48
0.368
WAR-XCH-b72a1bbc-36
0.366
WAR-XCH-b72a1bbc-37
0.366
WAR-XCH-b6889685-17
0.365
WAR-XCH-b6889685-6
0.365
WAR-XCH-b72a1bbc-49
0.364
WAR-XCH-b6889685-4
0.362
WAR-XCH-b72a1bbc-42
0.362
WAR-XCH-b6889685-5
0.362
WAR-XCH-b6889685-22
0.362
WAR-XCH-b72a1bbc-46
0.361
WAR-XCH-b72a1bbc-8
0.358
WAR-XCH-b72a1bbc-34
0.354
WAR-XCH-b6889685-18
0.354
WAR-XCH-b6889685-54
0.353
WAR-XCH-b72a1bbc-47
0.351
WAR-XCH-b6889685-16
0.351
WAR-XCH-b72a1bbc-11
0.349
WAR-XCH-b72a1bbc-45
0.347
WAR-XCH-b72a1bbc-10
0.345
WAR-XCH-b72a1bbc-35
0.343
WAR-XCH-b72a1bbc-7
0.341
WAR-XCH-b6889685-15
0.340
WAR-XCH-b72a1bbc-44
0.340
WAR-XCH-b6889685-3
0.340
WAR-XCH-b72a1bbc-9
0.337
WAR-XCH-b6889685-19
0.337
WAR-XCH-b6889685-58
0.337
WAR-XCH-b72a1bbc-43
0.337
WAR-XCH-b6889685-23
0.333
WAR-XCH-b72a1bbc-38
0.330
WAR-XCH-b6889685-21
0.330
WAR-XCH-b6889685-30
0.330
WAR-XCH-b6889685-62
0.330
WAR-XCH-b6889685-43
0.330
WAR-XCH-b6889685-29
0.330
WAR-XCH-b6889685-51
0.327
WAR-XCH-b6889685-2
0.327
WAR-XCH-b72a1bbc-15
0.326
WAR-XCH-b6889685-53
0.326
WAR-XCH-b72a1bbc-13
0.324
WAR-XCH-b6889685-1
0.323
WAR-XCH-b6889685-57
0.323
WAR-XCH-b72a1bbc-5
0.322
WAR-XCH-b72a1bbc-12
0.322
WAR-XCH-b72a1bbc-6
0.322
WAR-XCH-b72a1bbc-16
0.322
WAR-XCH-b6889685-24
0.322
WAR-XCH-b72a1bbc-17
0.319
WAR-XCH-b6889685-59
0.319
WAR-XCH-b72a1bbc-18
0.319
WAR-XCH-b6889685-55
0.319
WAR-XCH-b6889685-50
0.318
WAR-XCH-b6889685-49
0.317
WAR-XCH-b6889685-63
0.316
WAR-XCH-b6889685-56
0.312
WAR-XCH-b6889685-39
0.310
WAR-XCH-b6889685-45
0.309
WAR-XCH-b6889685-46
0.309
WAR-XCH-b6889685-26
0.309
WAR-XCH-b6889685-40
0.308
WAR-XCH-b6889685-42
0.307
WAR-XCH-b6889685-27
0.306
WAR-XCH-b6889685-44
0.306
WAR-XCH-b6889685-33
0.305
WAR-XCH-b6889685-36
0.305
WAR-XCH-b6889685-37
0.305
WAR-XCH-b6889685-48
0.303
WAR-XCH-b6889685-61
0.301
WAR-XCH-b6889685-64
0.299