Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CSc3ccccn3)CC2)cc1 |
MW: | 363.508 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.29 |
cLogP: | 2.7377 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-35
0.603
WAR-XCH-b72a1bbc-36
0.586
WAR-XCH-b72a1bbc-42
0.556
WAR-XCH-b72a1bbc-37
0.542
WAR-XCH-b72a1bbc-38
0.539
WAR-XCH-b72a1bbc-39
0.537
WAR-XCH-b72a1bbc-40
0.527
WAR-XCH-b72a1bbc-34
0.520
WAR-XCH-b72a1bbc-14
0.508
WAR-XCH-b72a1bbc-33
0.493
WAR-XCH-b72a1bbc-48
0.471
WAR-XCH-b72a1bbc-23
0.471
WAR-XCH-b72a1bbc-20
0.465
WAR-XCH-b72a1bbc-19
0.458
WAR-XCH-b6889685-20
0.457
WAR-XCH-b72a1bbc-21
0.446
WAR-XCH-b72a1bbc-49
0.444
WAR-XCH-b6889685-16
0.438
WAR-XCH-b6889685-22
0.436
WAR-XCH-b72a1bbc-44
0.429
WAR-XCH-b6889685-15
0.429
WAR-XCH-b6889685-18
0.425
WAR-XCH-b6889685-10
0.425
WAR-XCH-b72a1bbc-43
0.423
WAR-XCH-b6889685-19
0.423
WAR-XCH-b6889685-11
0.422
WAR-XCH-b6889685-17
0.420
WAR-XCH-b6889685-29
0.419
WAR-XCH-b6889685-9
0.419
WAR-XCH-b72a1bbc-9
0.418
WAR-XCH-b72a1bbc-15
0.417
WAR-XCH-b6889685-8
0.417
WAR-XCH-b6889685-30
0.416
WAR-XCH-b6889685-54
0.414
WAR-XCH-b6889685-21
0.412
WAR-XCH-b6889685-24
0.411
WAR-XCH-b6889685-23
0.408
WAR-XCH-b6889685-3
0.407
WAR-XCH-b72a1bbc-47
0.402
WAR-XCH-b6889685-6
0.402
WAR-XCH-b6889685-4
0.400
WAR-XCH-b6889685-5
0.400
WAR-XCH-b6889685-53
0.400
WAR-XCH-b72a1bbc-45
0.398
WAR-XCH-b72a1bbc-46
0.398
WAR-XCH-b6889685-7
0.398
WAR-XCH-b6889685-43
0.397
WAR-XCH-b6889685-62
0.397
WAR-XCH-b72a1bbc-7
0.397
WAR-XCH-b72a1bbc-28
0.395
WAR-XCH-b72a1bbc-8
0.395
WAR-XCH-b6889685-48
0.395
WAR-XCH-b6889685-14
0.393
WAR-XCH-b6889685-2
0.390
WAR-XCH-b6889685-26
0.390
WAR-XCH-b72a1bbc-11
0.389
WAR-XCH-b6889685-12
0.388
WAR-XCH-b6889685-13
0.388
WAR-XCH-b6889685-46
0.388
WAR-XCH-b6889685-28
0.386
WAR-XCH-b6889685-1
0.386
WAR-XCH-b6889685-33
0.385
WAR-XCH-b6889685-59
0.385
WAR-XCH-b72a1bbc-17
0.385
WAR-XCH-b72a1bbc-10
0.384
WAR-XCH-b6889685-47
0.383
WAR-XCH-b72a1bbc-26
0.378
WAR-XCH-b6889685-49
0.376
WAR-XCH-b72a1bbc-12
0.373
WAR-XCH-b72a1bbc-6
0.373
WAR-XCH-b72a1bbc-16
0.373
WAR-XCH-b72a1bbc-5
0.373
WAR-XCH-b6889685-25
0.372
WAR-XCH-b6889685-57
0.372
WAR-XCH-b72a1bbc-32
0.371
WAR-XCH-b6889685-58
0.370
WAR-XCH-b6889685-45
0.370
WAR-XCH-b72a1bbc-22
0.370
WAR-XCH-b72a1bbc-25
0.370
WAR-XCH-b6889685-39
0.369
WAR-XCH-b72a1bbc-27
0.368
WAR-XCH-b72a1bbc-18
0.368
WAR-XCH-b6889685-55
0.368
WAR-XCH-b6889685-31
0.367
WAR-XCH-b6889685-27
0.366
WAR-XCH-b6889685-44
0.366
WAR-XCH-b72a1bbc-1
0.364
WAR-XCH-b6889685-32
0.362
WAR-XCH-b6889685-63
0.361
WAR-XCH-b6889685-37
0.360
WAR-XCH-b6889685-56
0.359
WAR-XCH-b6889685-64
0.358
WAR-XCH-b72a1bbc-24
0.356
WAR-XCH-b72a1bbc-30
0.356
WAR-XCH-b6889685-52
0.355
WAR-XCH-b72a1bbc-31
0.352
WAR-XCH-b72a1bbc-29
0.352
WAR-XCH-b6889685-42
0.349
WAR-XCH-b6889685-40
0.348
WAR-XCH-b6889685-36
0.344