Molecular Properties | |
SMILES: | Cc1cccc(NCC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 |
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-47
0.721
WAR-XCH-b72a1bbc-46
0.710
WAR-XCH-b72a1bbc-43
0.662
WAR-XCH-b6889685-27
0.606
WAR-XCH-b72a1bbc-44
0.600
WAR-XCH-b6889685-16
0.560
WAR-XCH-b6889685-6
0.539
WAR-XCH-b72a1bbc-23
0.500
WAR-XCH-b72a1bbc-14
0.492
WAR-XCH-b6889685-49
0.487
WAR-XCH-b6889685-58
0.487
WAR-XCH-b6889685-20
0.486
WAR-XCH-b6889685-15
0.474
WAR-XCH-b72a1bbc-48
0.458
WAR-XCH-b72a1bbc-39
0.458
WAR-XCH-b6889685-7
0.457
WAR-XCH-b6889685-21
0.456
WAR-XCH-b6889685-25
0.453
WAR-XCH-b72a1bbc-49
0.452
WAR-XCH-b6889685-18
0.450
WAR-XCH-b72a1bbc-9
0.448
WAR-XCH-b6889685-29
0.446
WAR-XCH-b6889685-17
0.444
WAR-XCH-b6889685-22
0.443
WAR-XCH-b6889685-4
0.443
WAR-XCH-b6889685-43
0.442
WAR-XCH-b6889685-23
0.437
WAR-XCH-b72a1bbc-20
0.432
WAR-XCH-b72a1bbc-19
0.427
WAR-XCH-b72a1bbc-33
0.423
WAR-XCH-b6889685-30
0.423
WAR-XCH-b6889685-54
0.423
WAR-XCH-b6889685-34
0.416
WAR-XCH-b6889685-60
0.416
WAR-XCH-b72a1bbc-21
0.416
WAR-XCH-b6889685-26
0.416
WAR-XCH-b6889685-3
0.415
WAR-XCH-b6889685-19
0.412
WAR-XCH-b72a1bbc-36
0.412
WAR-XCH-b6889685-11
0.412
WAR-XCH-b6889685-1
0.410
WAR-XCH-b6889685-53
0.408
WAR-XCH-b6889685-5
0.407
WAR-XCH-b72a1bbc-42
0.407
WAR-XCH-b6889685-47
0.407
WAR-XCH-b6889685-8
0.407
WAR-XCH-b6889685-56
0.403
WAR-XCH-b72a1bbc-38
0.400
WAR-XCH-b6889685-2
0.398
WAR-XCH-b6889685-10
0.398
WAR-XCH-b72a1bbc-41
0.398
WAR-XCH-b72a1bbc-37
0.395
WAR-XCH-b6889685-46
0.395
WAR-XCH-b6889685-55
0.395
WAR-XCH-b72a1bbc-24
0.393
WAR-XCH-b6889685-28
0.393
WAR-XCH-b6889685-59
0.392
WAR-XCH-b6889685-31
0.392
WAR-XCH-b6889685-33
0.392
WAR-XCH-b6889685-44
0.390
WAR-XCH-b6889685-32
0.388
WAR-XCH-b72a1bbc-7
0.387
WAR-XCH-b72a1bbc-40
0.386
WAR-XCH-b6889685-48
0.386
WAR-XCH-b72a1bbc-26
0.385
WAR-XCH-b72a1bbc-35
0.384
WAR-XCH-b72a1bbc-5
0.382
WAR-XCH-b72a1bbc-16
0.382
WAR-XCH-b6889685-24
0.382
WAR-XCH-b72a1bbc-34
0.381
WAR-XCH-b6889685-57
0.380
WAR-XCH-b6889685-12
0.379
WAR-XCH-b6889685-13
0.379
WAR-XCH-b72a1bbc-11
0.378
WAR-XCH-b6889685-45
0.378
WAR-XCH-b6889685-9
0.378
WAR-XCH-b72a1bbc-18
0.377
WAR-XCH-b72a1bbc-25
0.376
WAR-XCH-b72a1bbc-17
0.375
WAR-XCH-b72a1bbc-10
0.373
WAR-XCH-b6889685-40
0.371
WAR-XCH-b72a1bbc-28
0.371
WAR-XCH-b6889685-62
0.370
WAR-XCH-b6889685-63
0.369
WAR-XCH-b72a1bbc-15
0.368
WAR-XCH-b6889685-14
0.368
WAR-XCH-b6889685-37
0.367
WAR-XCH-b6889685-64
0.366
WAR-XCH-b72a1bbc-12
0.364
WAR-XCH-b72a1bbc-6
0.364
WAR-XCH-b72a1bbc-30
0.363
WAR-XCH-b72a1bbc-32
0.363
WAR-XCH-b72a1bbc-22
0.362
WAR-XCH-b72a1bbc-31
0.359
WAR-XCH-b6889685-38
0.358
WAR-XCH-b6889685-35
0.356
WAR-XCH-b6889685-42
0.356
WAR-XCH-b72a1bbc-1
0.353
WAR-XCH-b6889685-36
0.352
WAR-XCH-b72a1bbc-27
0.347