Molecular Properties | |
SMILES: | Cc1ccc(NCC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 |
MW: | 359.495 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.43 |
cLogP: | 2.97092 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-44
0.754
WAR-XCH-b72a1bbc-45
0.662
WAR-XCH-b72a1bbc-47
0.600
WAR-XCH-b72a1bbc-46
0.592
WAR-XCH-b6889685-25
0.576
WAR-XCH-b6889685-15
0.574
WAR-XCH-b72a1bbc-23
0.540
WAR-XCH-b6889685-4
0.535
WAR-XCH-b72a1bbc-14
0.533
WAR-XCH-b6889685-20
0.523
WAR-XCH-b6889685-47
0.493
WAR-XCH-b6889685-56
0.493
WAR-XCH-b72a1bbc-48
0.493
WAR-XCH-b72a1bbc-39
0.493
WAR-XCH-b72a1bbc-49
0.485
WAR-XCH-b72a1bbc-9
0.484
WAR-XCH-b6889685-19
0.479
WAR-XCH-b6889685-16
0.474
WAR-XCH-b6889685-43
0.472
WAR-XCH-b72a1bbc-24
0.469
WAR-XCH-b72a1bbc-20
0.464
WAR-XCH-b72a1bbc-19
0.457
WAR-XCH-b6889685-6
0.455
WAR-XCH-b6889685-54
0.455
WAR-XCH-b6889685-22
0.453
WAR-XCH-b72a1bbc-33
0.452
WAR-XCH-b6889685-23
0.448
WAR-XCH-b6889685-21
0.447
WAR-XCH-b72a1bbc-21
0.444
WAR-XCH-b6889685-26
0.444
WAR-XCH-b6889685-2
0.442
WAR-XCH-b72a1bbc-36
0.440
WAR-XCH-b72a1bbc-37
0.440
WAR-XCH-b6889685-53
0.439
WAR-XCH-b6889685-1
0.436
WAR-XCH-b6889685-5
0.434
WAR-XCH-b6889685-27
0.434
WAR-XCH-b72a1bbc-38
0.425
WAR-XCH-b72a1bbc-41
0.423
WAR-XCH-b6889685-3
0.423
WAR-XCH-b6889685-18
0.423
WAR-XCH-b6889685-55
0.423
WAR-XCH-b6889685-11
0.420
WAR-XCH-b6889685-31
0.419
WAR-XCH-b6889685-17
0.418
WAR-XCH-b6889685-29
0.417
WAR-XCH-b72a1bbc-42
0.416
WAR-XCH-b72a1bbc-7
0.414
WAR-XCH-b6889685-30
0.413
WAR-XCH-b6889685-7
0.412
WAR-XCH-b6889685-35
0.412
WAR-XCH-b6889685-48
0.410
WAR-XCH-b72a1bbc-40
0.410
WAR-XCH-b72a1bbc-16
0.408
WAR-XCH-b6889685-24
0.408
WAR-XCH-b6889685-49
0.407
WAR-XCH-b72a1bbc-11
0.406
WAR-XCH-b6889685-57
0.405
WAR-XCH-b72a1bbc-34
0.405
WAR-XCH-b6889685-10
0.405
WAR-XCH-b72a1bbc-18
0.403
WAR-XCH-b6889685-45
0.403
WAR-XCH-b6889685-58
0.403
WAR-XCH-b6889685-46
0.403
WAR-XCH-b6889685-12
0.402
WAR-XCH-b72a1bbc-17
0.400
WAR-XCH-b72a1bbc-10
0.400
WAR-XCH-b6889685-59
0.400
WAR-XCH-b6889685-44
0.397
WAR-XCH-b6889685-32
0.395
WAR-XCH-b72a1bbc-15
0.394
WAR-XCH-b72a1bbc-35
0.390
WAR-XCH-b6889685-14
0.390
WAR-XCH-b6889685-64
0.390
WAR-XCH-b72a1bbc-6
0.389
WAR-XCH-b72a1bbc-12
0.389
WAR-XCH-b72a1bbc-5
0.389
WAR-XCH-b6889685-13
0.386
WAR-XCH-b6889685-33
0.382
WAR-XCH-b72a1bbc-1
0.381
WAR-XCH-b6889685-8
0.381
WAR-XCH-b72a1bbc-29
0.379
WAR-XCH-b72a1bbc-31
0.379
WAR-XCH-b6889685-62
0.377
WAR-XCH-b72a1bbc-28
0.376
WAR-XCH-b6889685-40
0.376
WAR-XCH-b6889685-63
0.375
WAR-XCH-b72a1bbc-30
0.368
WAR-XCH-b72a1bbc-32
0.368
WAR-XCH-b6889685-9
0.368
WAR-XCH-b6889685-28
0.366
WAR-XCH-b6889685-42
0.361
WAR-XCH-b72a1bbc-26
0.360
WAR-XCH-b6889685-34
0.360
WAR-XCH-b6889685-41
0.353
WAR-XCH-b72a1bbc-22
0.352
WAR-XCH-b72a1bbc-25
0.352
WAR-XCH-b6889685-39
0.349
WAR-XCH-b6889685-60
0.344
WAR-XCH-b72a1bbc-8
0.341