Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCCC(c4ccccc4)C3)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-b72a1bbc-24
0.753
WAR-XCH-b72a1bbc-26
0.733
WAR-XCH-b72a1bbc-25
0.714
WAR-XCH-b72a1bbc-29
0.697
WAR-XCH-b6889685-10
0.667
WAR-XCH-b72a1bbc-32
0.641
WAR-XCH-b72a1bbc-31
0.633
WAR-XCH-b72a1bbc-30
0.620
WAR-XCH-b72a1bbc-27
0.619
WAR-XCH-b72a1bbc-20
0.594
WAR-XCH-b72a1bbc-19
0.586
WAR-XCH-b72a1bbc-22
0.535
WAR-XCH-b6889685-11
0.531
WAR-XCH-b72a1bbc-21
0.527
WAR-XCH-b6889685-8
0.524
WAR-XCH-b6889685-14
0.500
WAR-XCH-b6889685-12
0.494
WAR-XCH-b72a1bbc-14
0.485
WAR-XCH-b6889685-13
0.476
WAR-XCH-b6889685-9
0.471
WAR-XCH-b6889685-20
0.440
WAR-XCH-b72a1bbc-23
0.432
WAR-XCH-b6889685-61
0.425
WAR-XCH-b72a1bbc-39
0.416
WAR-XCH-b72a1bbc-48
0.416
WAR-XCH-b72a1bbc-49
0.410
WAR-XCH-b6889685-51
0.409
WAR-XCH-b6889685-29
0.405
WAR-XCH-b72a1bbc-15
0.403
WAR-XCH-b6889685-62
0.402
WAR-XCH-b72a1bbc-33
0.402
WAR-XCH-b72a1bbc-13
0.402
WAR-XCH-b72a1bbc-40
0.400
WAR-XCH-b72a1bbc-41
0.395
WAR-XCH-b72a1bbc-11
0.395
WAR-XCH-b72a1bbc-37
0.393
WAR-XCH-b72a1bbc-36
0.393
WAR-XCH-b6889685-17
0.391
WAR-XCH-b72a1bbc-10
0.390
WAR-XCH-b6889685-4
0.388
WAR-XCH-b72a1bbc-42
0.388
WAR-XCH-b6889685-5
0.388
WAR-XCH-b6889685-22
0.388
WAR-XCH-b6889685-53
0.387
WAR-XCH-b72a1bbc-46
0.386
WAR-XCH-b6889685-7
0.386
WAR-XCH-b72a1bbc-7
0.385
WAR-XCH-b72a1bbc-9
0.384
WAR-XCH-b6889685-54
0.382
WAR-XCH-b6889685-15
0.381
WAR-XCH-b72a1bbc-44
0.381
WAR-XCH-b72a1bbc-6
0.380
WAR-XCH-b72a1bbc-16
0.380
WAR-XCH-b6889685-3
0.379
WAR-XCH-b72a1bbc-34
0.379
WAR-XCH-b6889685-2
0.379
WAR-XCH-b6889685-18
0.379
WAR-XCH-b6889685-23
0.377
WAR-XCH-b6889685-45
0.376
WAR-XCH-b6889685-19
0.376
WAR-XCH-b72a1bbc-43
0.376
WAR-XCH-b72a1bbc-47
0.375
WAR-XCH-b6889685-6
0.375
WAR-XCH-b6889685-16
0.375
WAR-XCH-b6889685-39
0.375
WAR-XCH-b72a1bbc-45
0.371
WAR-XCH-b6889685-30
0.369
WAR-XCH-b6889685-43
0.369
WAR-XCH-b6889685-21
0.368
WAR-XCH-b72a1bbc-35
0.367
WAR-XCH-b6889685-24
0.362
WAR-XCH-b72a1bbc-5
0.362
WAR-XCH-b72a1bbc-12
0.362
WAR-XCH-b6889685-57
0.361
WAR-XCH-b6889685-46
0.360
WAR-XCH-b6889685-58
0.360
WAR-XCH-b6889685-1
0.360
WAR-XCH-b6889685-55
0.358
WAR-XCH-b72a1bbc-18
0.358
WAR-XCH-b6889685-59
0.357
WAR-XCH-b6889685-44
0.356
WAR-XCH-b72a1bbc-8
0.352
WAR-XCH-b72a1bbc-38
0.352
WAR-XCH-b6889685-56
0.349
WAR-XCH-b6889685-26
0.345
WAR-XCH-b6889685-28
0.344
WAR-XCH-b72a1bbc-17
0.341
WAR-XCH-b6889685-33
0.341
WAR-XCH-b6889685-42
0.341
WAR-XCH-b6889685-40
0.340
WAR-XCH-b6889685-60
0.340
WAR-XCH-b6889685-48
0.337
WAR-XCH-b6889685-63
0.337
WAR-XCH-b6889685-49
0.337
WAR-XCH-b6889685-50
0.337
WAR-XCH-b72a1bbc-1
0.333
WAR-XCH-b6889685-64
0.333
WAR-XCH-b6889685-38
0.330
WAR-XCH-b6889685-25
0.329
WAR-XCH-b6889685-27
0.326