Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4ccccc4)CC3)CC2)cc1 |
MW: | 413.587 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-8
0.725
WAR-XCH-b6889685-11
0.686
WAR-XCH-b6889685-12
0.686
WAR-XCH-b72a1bbc-28
0.667
WAR-XCH-b6889685-14
0.648
WAR-XCH-b72a1bbc-20
0.625
WAR-XCH-b6889685-13
0.616
WAR-XCH-b72a1bbc-19
0.615
WAR-XCH-b6889685-9
0.605
WAR-XCH-b72a1bbc-21
0.597
WAR-XCH-b72a1bbc-22
0.556
WAR-XCH-b72a1bbc-14
0.532
WAR-XCH-b72a1bbc-26
0.512
WAR-XCH-b72a1bbc-24
0.506
WAR-XCH-b72a1bbc-15
0.500
WAR-XCH-b72a1bbc-25
0.500
WAR-XCH-b72a1bbc-27
0.494
WAR-XCH-b6889685-51
0.494
WAR-XCH-b72a1bbc-32
0.488
WAR-XCH-b72a1bbc-29
0.482
WAR-XCH-b72a1bbc-31
0.482
WAR-XCH-b6889685-20
0.478
WAR-XCH-b72a1bbc-23
0.471
WAR-XCH-b72a1bbc-30
0.470
WAR-XCH-b72a1bbc-49
0.465
WAR-XCH-b72a1bbc-6
0.451
WAR-XCH-b72a1bbc-16
0.451
WAR-XCH-b72a1bbc-39
0.451
WAR-XCH-b72a1bbc-48
0.451
WAR-XCH-b6889685-29
0.438
WAR-XCH-b6889685-17
0.438
WAR-XCH-b72a1bbc-7
0.437
WAR-XCH-b72a1bbc-33
0.434
WAR-XCH-b72a1bbc-41
0.425
WAR-XCH-b6889685-18
0.425
WAR-XCH-b6889685-61
0.422
WAR-XCH-b6889685-53
0.420
WAR-XCH-b6889685-16
0.420
WAR-XCH-b72a1bbc-9
0.418
WAR-XCH-b6889685-4
0.418
WAR-XCH-b6889685-22
0.418
WAR-XCH-b6889685-5
0.418
WAR-XCH-b72a1bbc-42
0.418
WAR-XCH-b6889685-62
0.416
WAR-XCH-b6889685-54
0.414
WAR-XCH-b72a1bbc-13
0.414
WAR-XCH-b72a1bbc-40
0.412
WAR-XCH-b72a1bbc-5
0.411
WAR-XCH-b72a1bbc-44
0.410
WAR-XCH-b6889685-15
0.410
WAR-XCH-b72a1bbc-35
0.410
WAR-XCH-b72a1bbc-11
0.408
WAR-XCH-b6889685-2
0.407
WAR-XCH-b6889685-3
0.407
WAR-XCH-b72a1bbc-36
0.405
WAR-XCH-b72a1bbc-37
0.405
WAR-XCH-b6889685-19
0.405
WAR-XCH-b72a1bbc-43
0.405
WAR-XCH-b6889685-45
0.405
WAR-XCH-b72a1bbc-10
0.403
WAR-XCH-b72a1bbc-17
0.403
WAR-XCH-b72a1bbc-47
0.402
WAR-XCH-b6889685-6
0.402
WAR-XCH-b72a1bbc-46
0.398
WAR-XCH-b6889685-7
0.398
WAR-XCH-b72a1bbc-45
0.398
WAR-XCH-b6889685-21
0.395
WAR-XCH-b72a1bbc-8
0.395
WAR-XCH-b6889685-63
0.395
WAR-XCH-b72a1bbc-38
0.393
WAR-XCH-b72a1bbc-12
0.392
WAR-XCH-b6889685-24
0.392
WAR-XCH-b72a1bbc-34
0.390
WAR-XCH-b6889685-57
0.390
WAR-XCH-b6889685-23
0.389
WAR-XCH-b6889685-58
0.388
WAR-XCH-b6889685-46
0.388
WAR-XCH-b72a1bbc-18
0.387
WAR-XCH-b6889685-1
0.386
WAR-XCH-b6889685-28
0.386
WAR-XCH-b6889685-39
0.386
WAR-XCH-b6889685-59
0.385
WAR-XCH-b6889685-44
0.383
WAR-XCH-b6889685-43
0.380
WAR-XCH-b6889685-30
0.380
WAR-XCH-b6889685-56
0.377
WAR-XCH-b6889685-50
0.374
WAR-XCH-b6889685-26
0.372
WAR-XCH-b6889685-55
0.368
WAR-XCH-b6889685-33
0.367
WAR-XCH-b6889685-38
0.366
WAR-XCH-b72a1bbc-1
0.364
WAR-XCH-b6889685-48
0.361
WAR-XCH-b6889685-64
0.358
WAR-XCH-b6889685-52
0.355
WAR-XCH-b6889685-25
0.354
WAR-XCH-b6889685-31
0.350
WAR-XCH-b6889685-27
0.349
WAR-XCH-b6889685-47
0.349
WAR-XCH-b6889685-40
0.348