Molecular Properties | |
SMILES: | CN(CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1cccs1 |
MW: | 365.524 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 2.7483 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-2
0.676
WAR-XCH-b6889685-1
0.643
WAR-XCH-b72a1bbc-48
0.585
WAR-XCH-b6889685-4
0.577
WAR-XCH-b6889685-5
0.577
WAR-XCH-b72a1bbc-49
0.576
WAR-XCH-b6889685-6
0.575
WAR-XCH-b6889685-7
0.568
WAR-XCH-b6889685-22
0.514
WAR-XCH-b72a1bbc-14
0.508
WAR-XCH-b6889685-64
0.507
WAR-XCH-b72a1bbc-23
0.493
WAR-XCH-b6889685-46
0.480
WAR-XCH-b6889685-20
0.478
WAR-XCH-b6889685-54
0.478
WAR-XCH-b72a1bbc-39
0.471
WAR-XCH-b6889685-53
0.463
WAR-XCH-b72a1bbc-9
0.462
WAR-XCH-b6889685-19
0.461
WAR-XCH-b6889685-33
0.459
WAR-XCH-b72a1bbc-32
0.452
WAR-XCH-b6889685-15
0.447
WAR-XCH-b72a1bbc-21
0.446
WAR-XCH-b72a1bbc-20
0.444
WAR-XCH-b72a1bbc-37
0.442
WAR-XCH-b72a1bbc-19
0.438
WAR-XCH-b6889685-16
0.438
WAR-XCH-b6889685-62
0.434
WAR-XCH-b6889685-42
0.432
WAR-XCH-b72a1bbc-16
0.431
WAR-XCH-b72a1bbc-40
0.430
WAR-XCH-b6889685-57
0.427
WAR-XCH-b6889685-18
0.425
WAR-XCH-b6889685-55
0.425
WAR-XCH-b72a1bbc-36
0.423
WAR-XCH-b72a1bbc-43
0.423
WAR-XCH-b6889685-12
0.422
WAR-XCH-b6889685-59
0.421
WAR-XCH-b6889685-17
0.420
WAR-XCH-b72a1bbc-42
0.418
WAR-XCH-b72a1bbc-33
0.416
WAR-XCH-b72a1bbc-45
0.415
WAR-XCH-b6889685-56
0.413
WAR-XCH-b6889685-21
0.412
WAR-XCH-b72a1bbc-6
0.411
WAR-XCH-b72a1bbc-44
0.410
WAR-XCH-b72a1bbc-35
0.410
WAR-XCH-b6889685-14
0.410
WAR-XCH-b6889685-23
0.408
WAR-XCH-b72a1bbc-41
0.407
WAR-XCH-b6889685-10
0.407
WAR-XCH-b6889685-58
0.405
WAR-XCH-b6889685-45
0.405
WAR-XCH-b6889685-11
0.405
WAR-XCH-b72a1bbc-47
0.402
WAR-XCH-b72a1bbc-29
0.398
WAR-XCH-b72a1bbc-46
0.398
WAR-XCH-b72a1bbc-7
0.397
WAR-XCH-b72a1bbc-15
0.397
WAR-XCH-b6889685-63
0.395
WAR-XCH-b72a1bbc-38
0.393
WAR-XCH-b72a1bbc-5
0.392
WAR-XCH-b6889685-24
0.392
WAR-XCH-b72a1bbc-12
0.392
WAR-XCH-b72a1bbc-34
0.390
WAR-XCH-b72a1bbc-11
0.389
WAR-XCH-b6889685-13
0.388
WAR-XCH-b72a1bbc-1
0.385
WAR-XCH-b6889685-31
0.385
WAR-XCH-b6889685-8
0.384
WAR-XCH-b72a1bbc-10
0.384
WAR-XCH-b6889685-44
0.383
WAR-XCH-b72a1bbc-31
0.382
WAR-XCH-b6889685-29
0.382
WAR-XCH-b6889685-43
0.380
WAR-XCH-b6889685-30
0.380
WAR-XCH-b72a1bbc-28
0.379
WAR-XCH-b6889685-48
0.378
WAR-XCH-b6889685-61
0.372
WAR-XCH-b6889685-25
0.372
WAR-XCH-b6889685-26
0.372
WAR-XCH-b6889685-9
0.371
WAR-XCH-b72a1bbc-24
0.371
WAR-XCH-b72a1bbc-30
0.371
WAR-XCH-b72a1bbc-22
0.370
WAR-XCH-b72a1bbc-18
0.368
WAR-XCH-b72a1bbc-17
0.367
WAR-XCH-b6889685-27
0.366
WAR-XCH-b6889685-47
0.366
WAR-XCH-b72a1bbc-26
0.363
WAR-XCH-b6889685-32
0.362
WAR-XCH-b72a1bbc-8
0.361
WAR-XCH-b6889685-49
0.360
WAR-XCH-b6889685-50
0.359
WAR-XCH-b6889685-41
0.356
WAR-XCH-b72a1bbc-25
0.355
WAR-XCH-b6889685-28
0.353
WAR-XCH-b6889685-39
0.353
WAR-XCH-b72a1bbc-13
0.352
WAR-XCH-b6889685-35
0.349