Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4cccc5ccccc45)CC3)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-b72a1bbc-27
0.725
WAR-XCH-b6889685-11
0.636
WAR-XCH-b6889685-8
0.608
WAR-XCH-b6889685-10
0.605
WAR-XCH-b6889685-14
0.562
WAR-XCH-b72a1bbc-20
0.556
WAR-XCH-b6889685-12
0.556
WAR-XCH-b6889685-13
0.556
WAR-XCH-b72a1bbc-19
0.548
WAR-XCH-b72a1bbc-21
0.533
WAR-XCH-b6889685-28
0.482
WAR-XCH-b72a1bbc-28
0.471
WAR-XCH-b72a1bbc-26
0.467
WAR-XCH-b72a1bbc-22
0.457
WAR-XCH-b72a1bbc-25
0.457
WAR-XCH-b72a1bbc-14
0.451
WAR-XCH-b72a1bbc-32
0.444
WAR-XCH-b72a1bbc-39
0.442
WAR-XCH-b6889685-38
0.436
WAR-XCH-b72a1bbc-30
0.429
WAR-XCH-b6889685-20
0.429
WAR-XCH-b72a1bbc-24
0.429
WAR-XCH-b6889685-52
0.426
WAR-XCH-b72a1bbc-31
0.424
WAR-XCH-b72a1bbc-29
0.424
WAR-XCH-b72a1bbc-23
0.421
WAR-XCH-b72a1bbc-41
0.419
WAR-XCH-b72a1bbc-49
0.418
WAR-XCH-b6889685-17
0.414
WAR-XCH-b72a1bbc-42
0.412
WAR-XCH-b72a1bbc-33
0.410
WAR-XCH-b72a1bbc-40
0.407
WAR-XCH-b72a1bbc-48
0.405
WAR-XCH-b72a1bbc-35
0.404
WAR-XCH-b6889685-18
0.402
WAR-XCH-b72a1bbc-36
0.400
WAR-XCH-b72a1bbc-37
0.400
WAR-XCH-b6889685-6
0.398
WAR-XCH-b6889685-16
0.398
WAR-XCH-b72a1bbc-17
0.398
WAR-XCH-b6889685-4
0.395
WAR-XCH-b6889685-22
0.395
WAR-XCH-b6889685-5
0.395
WAR-XCH-b6889685-7
0.393
WAR-XCH-b72a1bbc-7
0.392
WAR-XCH-b72a1bbc-8
0.391
WAR-XCH-b6889685-54
0.390
WAR-XCH-b72a1bbc-38
0.389
WAR-XCH-b72a1bbc-6
0.388
WAR-XCH-b72a1bbc-34
0.386
WAR-XCH-b72a1bbc-47
0.382
WAR-XCH-b72a1bbc-45
0.378
WAR-XCH-b72a1bbc-46
0.378
WAR-XCH-b72a1bbc-15
0.375
WAR-XCH-b72a1bbc-9
0.373
WAR-XCH-b6889685-15
0.372
WAR-XCH-b72a1bbc-44
0.372
WAR-XCH-b6889685-3
0.371
WAR-XCH-b72a1bbc-16
0.370
WAR-XCH-b72a1bbc-5
0.370
WAR-XCH-b6889685-19
0.368
WAR-XCH-b72a1bbc-43
0.368
WAR-XCH-b6889685-29
0.361
WAR-XCH-b6889685-30
0.360
WAR-XCH-b6889685-21
0.360
WAR-XCH-b6889685-63
0.360
WAR-XCH-b6889685-53
0.359
WAR-XCH-b6889685-50
0.357
WAR-XCH-b6889685-2
0.356
WAR-XCH-b6889685-51
0.355
WAR-XCH-b6889685-24
0.354
WAR-XCH-b6889685-57
0.353
WAR-XCH-b6889685-58
0.352
WAR-XCH-b6889685-1
0.352
WAR-XCH-b6889685-23
0.350
WAR-XCH-b72a1bbc-11
0.350
WAR-XCH-b72a1bbc-18
0.349
WAR-XCH-b6889685-59
0.349
WAR-XCH-b72a1bbc-10
0.346
WAR-XCH-b6889685-43
0.345
WAR-XCH-b6889685-62
0.345
WAR-XCH-b6889685-56
0.341
WAR-XCH-b72a1bbc-12
0.337
WAR-XCH-b6889685-26
0.337
WAR-XCH-b6889685-46
0.337
WAR-XCH-b6889685-27
0.333
WAR-XCH-b6889685-33
0.333
WAR-XCH-b6889685-55
0.333
WAR-XCH-b6889685-49
0.330
WAR-XCH-b6889685-48
0.330
WAR-XCH-b6889685-64
0.326
WAR-XCH-b72a1bbc-1
0.324
WAR-XCH-b72a1bbc-13
0.323
WAR-XCH-b6889685-39
0.323
WAR-XCH-b6889685-45
0.322
WAR-XCH-b6889685-25
0.322
WAR-XCH-b6889685-34
0.320
WAR-XCH-b6889685-40
0.320
WAR-XCH-b6889685-44
0.319
WAR-XCH-b6889685-47
0.319