Molecular Properties | |
SMILES: | Cc1cccc([C@@H]2CCC[C@@H]2N(C)C2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 |
MW: | 427.614 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 3.87932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-61
0.707
WAR-XCH-b6889685-58
0.532
WAR-XCH-b6889685-55
0.520
WAR-XCH-b6889685-6
0.453
WAR-XCH-b6889685-16
0.453
WAR-XCH-b6889685-27
0.452
WAR-XCH-b6889685-53
0.440
WAR-XCH-b6889685-54
0.434
WAR-XCH-b6889685-56
0.432
WAR-XCH-b6889685-49
0.427
WAR-XCH-b6889685-59
0.422
WAR-XCH-b72a1bbc-45
0.416
WAR-XCH-b6889685-63
0.414
WAR-XCH-b6889685-62
0.400
WAR-XCH-b6889685-64
0.395
WAR-XCH-b6889685-57
0.393
WAR-XCH-b6889685-23
0.392
WAR-XCH-b6889685-7
0.385
WAR-XCH-b72a1bbc-9
0.382
WAR-XCH-b6889685-15
0.379
WAR-XCH-b72a1bbc-48
0.378
WAR-XCH-b72a1bbc-11
0.375
WAR-XCH-b72a1bbc-23
0.375
WAR-XCH-b72a1bbc-49
0.373
WAR-XCH-b6889685-4
0.371
WAR-XCH-b72a1bbc-10
0.370
WAR-XCH-b6889685-20
0.366
WAR-XCH-b6889685-36
0.365
WAR-XCH-b72a1bbc-14
0.364
WAR-XCH-b6889685-18
0.363
WAR-XCH-b6889685-24
0.361
WAR-XCH-b72a1bbc-5
0.361
WAR-XCH-b6889685-25
0.360
WAR-XCH-b6889685-17
0.359
WAR-XCH-b72a1bbc-17
0.356
WAR-XCH-b6889685-47
0.356
WAR-XCH-b6889685-40
0.354
WAR-XCH-b72a1bbc-26
0.354
WAR-XCH-b6889685-30
0.352
WAR-XCH-b72a1bbc-8
0.352
WAR-XCH-b6889685-37
0.351
WAR-XCH-b72a1bbc-7
0.349
WAR-XCH-b72a1bbc-15
0.349
WAR-XCH-b6889685-3
0.348
WAR-XCH-b72a1bbc-24
0.347
WAR-XCH-b72a1bbc-25
0.347
WAR-XCH-b72a1bbc-39
0.345
WAR-XCH-b72a1bbc-12
0.345
WAR-XCH-b72a1bbc-6
0.345
WAR-XCH-b72a1bbc-16
0.345
WAR-XCH-b72a1bbc-43
0.344
WAR-XCH-b6889685-46
0.344
WAR-XCH-b6889685-39
0.344
WAR-XCH-b6889685-1
0.344
WAR-XCH-b6889685-8
0.344
WAR-XCH-b72a1bbc-18
0.341
WAR-XCH-b72a1bbc-20
0.341
WAR-XCH-b6889685-22
0.341
WAR-XCH-b6889685-5
0.341
WAR-XCH-b6889685-42
0.340
WAR-XCH-b72a1bbc-28
0.340
WAR-XCH-b6889685-29
0.337
WAR-XCH-b72a1bbc-19
0.337
WAR-XCH-b6889685-48
0.337
WAR-XCH-b6889685-21
0.337
WAR-XCH-b6889685-2
0.333
WAR-XCH-b6889685-10
0.333
WAR-XCH-b6889685-11
0.333
WAR-XCH-b6889685-41
0.333
WAR-XCH-b6889685-38
0.330
WAR-XCH-b72a1bbc-47
0.330
WAR-XCH-b6889685-34
0.327
WAR-XCH-b72a1bbc-46
0.326
WAR-XCH-b6889685-33
0.326
WAR-XCH-b72a1bbc-38
0.323
WAR-XCH-b72a1bbc-33
0.322
WAR-XCH-b6889685-43
0.322
WAR-XCH-b6889685-51
0.320
WAR-XCH-b72a1bbc-34
0.319
WAR-XCH-b72a1bbc-44
0.319
WAR-XCH-b72a1bbc-13
0.317
WAR-XCH-b72a1bbc-1
0.316
WAR-XCH-b6889685-28
0.316
WAR-XCH-b72a1bbc-37
0.315
WAR-XCH-b6889685-19
0.315
WAR-XCH-b6889685-45
0.315
WAR-XCH-b72a1bbc-21
0.315
WAR-XCH-b6889685-26
0.315
WAR-XCH-b72a1bbc-42
0.312
WAR-XCH-b6889685-44
0.312
WAR-XCH-b6889685-31
0.311
WAR-XCH-b6889685-50
0.311
WAR-XCH-b72a1bbc-35
0.309
WAR-XCH-b6889685-32
0.308
WAR-XCH-b72a1bbc-22
0.308
WAR-XCH-b6889685-52
0.308
WAR-XCH-b72a1bbc-32
0.307
WAR-XCH-b72a1bbc-30
0.307
WAR-XCH-b6889685-13
0.306
WAR-XCH-b72a1bbc-41
0.305