Molecular Properties | |
SMILES: | Cc1ccccc1C1(NC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCC1 |
MW: | 413.587 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.43 |
cLogP: | 3.67032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-39
0.635
WAR-XCH-b6889685-38
0.622
WAR-XCH-b6889685-42
0.584
WAR-XCH-b6889685-36
0.568
WAR-XCH-b6889685-41
0.550
WAR-XCH-b6889685-37
0.549
WAR-XCH-b6889685-30
0.513
WAR-XCH-b6889685-23
0.472
WAR-XCH-b6889685-29
0.461
WAR-XCH-b6889685-59
0.443
WAR-XCH-b6889685-24
0.434
WAR-XCH-b6889685-25
0.430
WAR-XCH-b6889685-27
0.422
WAR-XCH-b6889685-43
0.420
WAR-XCH-b6889685-63
0.417
WAR-XCH-b6889685-46
0.410
WAR-XCH-b6889685-33
0.407
WAR-XCH-b6889685-47
0.405
WAR-XCH-b72a1bbc-14
0.403
WAR-XCH-b72a1bbc-9
0.403
WAR-XCH-b6889685-32
0.402
WAR-XCH-b6889685-54
0.400
WAR-XCH-b6889685-49
0.398
WAR-XCH-b6889685-26
0.395
WAR-XCH-b6889685-11
0.393
WAR-XCH-b6889685-45
0.393
WAR-XCH-b6889685-28
0.391
WAR-XCH-b6889685-31
0.390
WAR-XCH-b6889685-44
0.388
WAR-XCH-b6889685-53
0.387
WAR-XCH-b6889685-62
0.386
WAR-XCH-b6889685-20
0.385
WAR-XCH-b6889685-48
0.384
WAR-XCH-b6889685-61
0.378
WAR-XCH-b72a1bbc-11
0.377
WAR-XCH-b72a1bbc-23
0.377
WAR-XCH-b72a1bbc-43
0.376
WAR-XCH-b72a1bbc-20
0.375
WAR-XCH-b72a1bbc-18
0.375
WAR-XCH-b72a1bbc-49
0.375
WAR-XCH-b6889685-55
0.375
WAR-XCH-b72a1bbc-17
0.373
WAR-XCH-b72a1bbc-10
0.372
WAR-XCH-b72a1bbc-45
0.371
WAR-XCH-b72a1bbc-19
0.370
WAR-XCH-b72a1bbc-7
0.367
WAR-XCH-b72a1bbc-38
0.367
WAR-XCH-b6889685-56
0.366
WAR-XCH-b72a1bbc-6
0.362
WAR-XCH-b72a1bbc-12
0.362
WAR-XCH-b72a1bbc-39
0.362
WAR-XCH-b72a1bbc-48
0.362
WAR-XCH-b72a1bbc-21
0.361
WAR-XCH-b6889685-58
0.360
WAR-XCH-b6889685-6
0.360
WAR-XCH-b6889685-16
0.360
WAR-XCH-b72a1bbc-46
0.356
WAR-XCH-b6889685-7
0.356
WAR-XCH-b6889685-35
0.356
WAR-XCH-b6889685-60
0.354
WAR-XCH-b72a1bbc-1
0.352
WAR-XCH-b72a1bbc-15
0.350
WAR-XCH-b6889685-15
0.349
WAR-XCH-b72a1bbc-44
0.349
WAR-XCH-b6889685-64
0.349
WAR-XCH-b72a1bbc-41
0.348
WAR-XCH-b6889685-3
0.348
WAR-XCH-b6889685-10
0.348
WAR-XCH-b72a1bbc-5
0.346
WAR-XCH-b72a1bbc-16
0.346
WAR-XCH-b6889685-57
0.345
WAR-XCH-b72a1bbc-47
0.344
WAR-XCH-b6889685-4
0.341
WAR-XCH-b72a1bbc-42
0.341
WAR-XCH-b72a1bbc-28
0.340
WAR-XCH-b6889685-34
0.340
WAR-XCH-b72a1bbc-33
0.337
WAR-XCH-b72a1bbc-8
0.337
WAR-XCH-b72a1bbc-40
0.337
WAR-XCH-b72a1bbc-35
0.337
WAR-XCH-b6889685-2
0.333
WAR-XCH-b72a1bbc-34
0.333
WAR-XCH-b6889685-51
0.333
WAR-XCH-b72a1bbc-13
0.330
WAR-XCH-b6889685-17
0.330
WAR-XCH-b72a1bbc-36
0.330
WAR-XCH-b72a1bbc-37
0.330
WAR-XCH-b6889685-19
0.330
WAR-XCH-b6889685-22
0.326
WAR-XCH-b6889685-5
0.326
WAR-XCH-b6889685-14
0.323
WAR-XCH-b72a1bbc-22
0.320
WAR-XCH-b72a1bbc-24
0.320
WAR-XCH-b6889685-9
0.320
WAR-XCH-b6889685-18
0.319
WAR-XCH-b6889685-8
0.316
WAR-XCH-b6889685-1
0.315
WAR-XCH-b6889685-50
0.310
WAR-XCH-b6889685-21
0.308
WAR-XCH-b72a1bbc-27
0.308