Molecular Properties | |
SMILES: | CC(c1ccccc1)N(C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 |
MW: | 373.522 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 2.9958 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-53
0.661
WAR-XCH-b6889685-64
0.641
WAR-XCH-b6889685-63
0.636
WAR-XCH-b6889685-54
0.567
WAR-XCH-b6889685-59
0.537
WAR-XCH-b6889685-57
0.522
WAR-XCH-b72a1bbc-48
0.508
WAR-XCH-b6889685-56
0.507
WAR-XCH-b6889685-55
0.500
WAR-XCH-b72a1bbc-14
0.500
WAR-XCH-b6889685-58
0.493
WAR-XCH-b6889685-61
0.487
WAR-XCH-b6889685-23
0.484
WAR-XCH-b72a1bbc-49
0.478
WAR-XCH-b72a1bbc-9
0.475
WAR-XCH-b6889685-29
0.471
WAR-XCH-b6889685-20
0.448
WAR-XCH-b6889685-5
0.446
WAR-XCH-b72a1bbc-39
0.441
WAR-XCH-b72a1bbc-23
0.439
WAR-XCH-b72a1bbc-13
0.439
WAR-XCH-b6889685-49
0.436
WAR-XCH-b6889685-3
0.434
WAR-XCH-b6889685-1
0.429
WAR-XCH-b6889685-6
0.429
WAR-XCH-b6889685-47
0.427
WAR-XCH-b6889685-4
0.427
WAR-XCH-b72a1bbc-7
0.426
WAR-XCH-b6889685-30
0.425
WAR-XCH-b6889685-7
0.423
WAR-XCH-b6889685-48
0.421
WAR-XCH-b72a1bbc-12
0.420
WAR-XCH-b72a1bbc-6
0.420
WAR-XCH-b72a1bbc-11
0.418
WAR-XCH-b72a1bbc-1
0.417
WAR-XCH-b72a1bbc-21
0.417
WAR-XCH-b6889685-10
0.416
WAR-XCH-b6889685-2
0.416
WAR-XCH-b72a1bbc-20
0.414
WAR-XCH-b72a1bbc-18
0.414
WAR-XCH-b72a1bbc-10
0.412
WAR-XCH-b6889685-39
0.410
WAR-XCH-b72a1bbc-19
0.408
WAR-XCH-b72a1bbc-15
0.406
WAR-XCH-b72a1bbc-8
0.403
WAR-XCH-b72a1bbc-28
0.402
WAR-XCH-b6889685-60
0.400
WAR-XCH-b6889685-24
0.400
WAR-XCH-b72a1bbc-5
0.400
WAR-XCH-b72a1bbc-16
0.400
WAR-XCH-b72a1bbc-35
0.400
WAR-XCH-b6889685-15
0.400
WAR-XCH-b72a1bbc-41
0.397
WAR-XCH-b6889685-25
0.397
WAR-XCH-b6889685-11
0.395
WAR-XCH-b6889685-51
0.395
WAR-XCH-b72a1bbc-17
0.392
WAR-XCH-b6889685-33
0.392
WAR-XCH-b72a1bbc-22
0.391
WAR-XCH-b72a1bbc-42
0.390
WAR-XCH-b6889685-27
0.390
WAR-XCH-b6889685-40
0.386
WAR-XCH-b72a1bbc-38
0.383
WAR-XCH-b6889685-18
0.380
WAR-XCH-b6889685-50
0.379
WAR-XCH-b6889685-26
0.378
WAR-XCH-b72a1bbc-36
0.377
WAR-XCH-b72a1bbc-43
0.377
WAR-XCH-b72a1bbc-37
0.377
WAR-XCH-b6889685-46
0.377
WAR-XCH-b72a1bbc-47
0.375
WAR-XCH-b6889685-28
0.375
WAR-XCH-b6889685-16
0.375
WAR-XCH-b6889685-8
0.373
WAR-XCH-b6889685-31
0.373
WAR-XCH-b6889685-22
0.372
WAR-XCH-b72a1bbc-45
0.370
WAR-XCH-b72a1bbc-33
0.368
WAR-XCH-b6889685-43
0.368
WAR-XCH-b6889685-32
0.368
WAR-XCH-b72a1bbc-40
0.367
WAR-XCH-b6889685-21
0.367
WAR-XCH-b6889685-14
0.366
WAR-XCH-b72a1bbc-44
0.364
WAR-XCH-b72a1bbc-34
0.362
WAR-XCH-b6889685-19
0.359
WAR-XCH-b6889685-45
0.359
WAR-XCH-b6889685-17
0.358
WAR-XCH-b6889685-38
0.356
WAR-XCH-b6889685-44
0.354
WAR-XCH-b6889685-42
0.354
WAR-XCH-b72a1bbc-46
0.354
WAR-XCH-b72a1bbc-26
0.352
WAR-XCH-b6889685-37
0.349
WAR-XCH-b6889685-12
0.345
WAR-XCH-b6889685-13
0.345
WAR-XCH-b72a1bbc-24
0.345
WAR-XCH-b72a1bbc-32
0.345
WAR-XCH-b6889685-9
0.345
WAR-XCH-b6889685-52
0.344