Molecular Properties | |
SMILES: | CN(C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1CCC[C@H]1c1ccccc1 |
MW: | 413.587 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 3.5709 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-60
0.707
WAR-XCH-b6889685-55
0.543
WAR-XCH-b6889685-62
0.487
WAR-XCH-b6889685-53
0.478
WAR-XCH-b6889685-54
0.471
WAR-XCH-b6889685-59
0.455
WAR-XCH-b6889685-63
0.444
WAR-XCH-b6889685-58
0.438
WAR-XCH-b6889685-56
0.429
WAR-XCH-b72a1bbc-28
0.425
WAR-XCH-b6889685-64
0.425
WAR-XCH-b6889685-57
0.423
WAR-XCH-b6889685-10
0.422
WAR-XCH-b6889685-29
0.416
WAR-XCH-b72a1bbc-9
0.414
WAR-XCH-b72a1bbc-14
0.414
WAR-XCH-b72a1bbc-48
0.408
WAR-XCH-b72a1bbc-11
0.405
WAR-XCH-b6889685-23
0.405
WAR-XCH-b72a1bbc-49
0.403
WAR-XCH-b72a1bbc-10
0.400
WAR-XCH-b6889685-39
0.400
WAR-XCH-b72a1bbc-8
0.393
WAR-XCH-b72a1bbc-5
0.390
WAR-XCH-b6889685-24
0.390
WAR-XCH-b72a1bbc-23
0.387
WAR-XCH-b6889685-51
0.386
WAR-XCH-b72a1bbc-20
0.385
WAR-XCH-b72a1bbc-13
0.380
WAR-XCH-b72a1bbc-19
0.380
WAR-XCH-b6889685-30
0.378
WAR-XCH-b6889685-40
0.378
WAR-XCH-b72a1bbc-15
0.377
WAR-XCH-b72a1bbc-7
0.377
WAR-XCH-b6889685-20
0.377
WAR-XCH-b6889685-50
0.372
WAR-XCH-b6889685-2
0.372
WAR-XCH-b6889685-3
0.372
WAR-XCH-b72a1bbc-6
0.372
WAR-XCH-b72a1bbc-16
0.372
WAR-XCH-b72a1bbc-12
0.372
WAR-XCH-b72a1bbc-39
0.372
WAR-XCH-b6889685-11
0.371
WAR-XCH-b6889685-46
0.369
WAR-XCH-b72a1bbc-22
0.368
WAR-XCH-b6889685-6
0.368
WAR-XCH-b6889685-1
0.368
WAR-XCH-b72a1bbc-18
0.367
WAR-XCH-b72a1bbc-17
0.366
WAR-XCH-b6889685-4
0.365
WAR-XCH-b6889685-5
0.365
WAR-XCH-b6889685-27
0.365
WAR-XCH-b6889685-7
0.364
WAR-XCH-b6889685-15
0.357
WAR-XCH-b6889685-25
0.354
WAR-XCH-b72a1bbc-21
0.354
WAR-XCH-b6889685-16
0.352
WAR-XCH-b6889685-8
0.352
WAR-XCH-b6889685-33
0.349
WAR-XCH-b6889685-47
0.349
WAR-XCH-b6889685-42
0.348
WAR-XCH-b72a1bbc-26
0.347
WAR-XCH-b72a1bbc-33
0.345
WAR-XCH-b6889685-43
0.345
WAR-XCH-b6889685-48
0.345
WAR-XCH-b6889685-49
0.344
WAR-XCH-b72a1bbc-1
0.343
WAR-XCH-b72a1bbc-44
0.341
WAR-XCH-b72a1bbc-34
0.341
WAR-XCH-b6889685-18
0.341
WAR-XCH-b72a1bbc-41
0.341
WAR-XCH-b6889685-13
0.341
WAR-XCH-b6889685-41
0.341
WAR-XCH-b72a1bbc-24
0.340
WAR-XCH-b72a1bbc-25
0.340
WAR-XCH-b6889685-26
0.337
WAR-XCH-b6889685-45
0.337
WAR-XCH-b72a1bbc-43
0.337
WAR-XCH-b72a1bbc-36
0.337
WAR-XCH-b6889685-17
0.337
WAR-XCH-b6889685-28
0.337
WAR-XCH-b6889685-38
0.337
WAR-XCH-b72a1bbc-45
0.333
WAR-XCH-b6889685-44
0.333
WAR-XCH-b72a1bbc-42
0.333
WAR-XCH-b6889685-22
0.333
WAR-XCH-b6889685-31
0.333
WAR-XCH-b6889685-37
0.330
WAR-XCH-b6889685-36
0.330
WAR-XCH-b72a1bbc-35
0.330
WAR-XCH-b6889685-14
0.330
WAR-XCH-b72a1bbc-38
0.330
WAR-XCH-b6889685-21
0.330
WAR-XCH-b6889685-32
0.329
WAR-XCH-b72a1bbc-30
0.326
WAR-XCH-b72a1bbc-32
0.326
WAR-XCH-b6889685-12
0.326
WAR-XCH-b72a1bbc-29
0.323
WAR-XCH-b72a1bbc-47
0.322
WAR-XCH-b6889685-19
0.322