Molecular Properties | |
SMILES: | Cc1cccc(C(C)NC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 |
MW: | 373.522 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.43 |
cLogP: | 2.96202 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b6889685-47
0.667
WAR-XCH-b6889685-48
0.611
WAR-XCH-b6889685-23
0.609
WAR-XCH-b6889685-27
0.554
WAR-XCH-b6889685-58
0.520
WAR-XCH-b6889685-16
0.494
WAR-XCH-b72a1bbc-45
0.487
WAR-XCH-b6889685-6
0.475
WAR-XCH-b6889685-25
0.467
WAR-XCH-b6889685-30
0.455
WAR-XCH-b6889685-53
0.443
WAR-XCH-b6889685-29
0.440
WAR-XCH-b6889685-62
0.436
WAR-XCH-b6889685-24
0.432
WAR-XCH-b72a1bbc-48
0.432
WAR-XCH-b6889685-26
0.429
WAR-XCH-b6889685-60
0.427
WAR-XCH-b6889685-33
0.423
WAR-XCH-b72a1bbc-9
0.420
WAR-XCH-b72a1bbc-14
0.420
WAR-XCH-b6889685-43
0.418
WAR-XCH-b6889685-56
0.416
WAR-XCH-b6889685-63
0.415
WAR-XCH-b6889685-64
0.412
WAR-XCH-b72a1bbc-38
0.412
WAR-XCH-b72a1bbc-23
0.411
WAR-XCH-b72a1bbc-43
0.407
WAR-XCH-b6889685-46
0.407
WAR-XCH-b6889685-31
0.405
WAR-XCH-b6889685-59
0.405
WAR-XCH-b6889685-28
0.405
WAR-XCH-b72a1bbc-42
0.402
WAR-XCH-b6889685-7
0.400
WAR-XCH-b6889685-20
0.400
WAR-XCH-b6889685-32
0.400
WAR-XCH-b6889685-42
0.400
WAR-XCH-b6889685-40
0.398
WAR-XCH-b72a1bbc-40
0.398
WAR-XCH-b6889685-54
0.397
WAR-XCH-b6889685-34
0.396
WAR-XCH-b6889685-15
0.395
WAR-XCH-b72a1bbc-39
0.395
WAR-XCH-b6889685-37
0.393
WAR-XCH-b6889685-36
0.393
WAR-XCH-b6889685-57
0.392
WAR-XCH-b72a1bbc-36
0.390
WAR-XCH-b6889685-45
0.390
WAR-XCH-b72a1bbc-49
0.390
WAR-XCH-b6889685-55
0.390
WAR-XCH-b6889685-39
0.388
WAR-XCH-b72a1bbc-47
0.388
WAR-XCH-b72a1bbc-17
0.388
WAR-XCH-b6889685-44
0.386
WAR-XCH-b6889685-4
0.386
WAR-XCH-b6889685-35
0.384
WAR-XCH-b72a1bbc-46
0.384
WAR-XCH-b6889685-38
0.383
WAR-XCH-b72a1bbc-7
0.382
WAR-XCH-b72a1bbc-15
0.382
WAR-XCH-b72a1bbc-35
0.379
WAR-XCH-b72a1bbc-6
0.377
WAR-XCH-b72a1bbc-16
0.377
WAR-XCH-b72a1bbc-41
0.376
WAR-XCH-b6889685-18
0.376
WAR-XCH-b72a1bbc-37
0.373
WAR-XCH-b72a1bbc-11
0.373
WAR-XCH-b6889685-17
0.372
WAR-XCH-b72a1bbc-20
0.372
WAR-XCH-b6889685-5
0.369
WAR-XCH-b6889685-22
0.369
WAR-XCH-b72a1bbc-10
0.368
WAR-XCH-b72a1bbc-19
0.367
WAR-XCH-b72a1bbc-44
0.361
WAR-XCH-b72a1bbc-34
0.360
WAR-XCH-b6889685-2
0.360
WAR-XCH-b6889685-3
0.360
WAR-XCH-b6889685-41
0.360
WAR-XCH-b6889685-11
0.360
WAR-XCH-b72a1bbc-5
0.359
WAR-XCH-b72a1bbc-12
0.359
WAR-XCH-b72a1bbc-24
0.359
WAR-XCH-b72a1bbc-21
0.358
WAR-XCH-b6889685-8
0.356
WAR-XCH-b72a1bbc-18
0.354
WAR-XCH-b72a1bbc-26
0.351
WAR-XCH-b72a1bbc-33
0.349
WAR-XCH-b6889685-21
0.349
WAR-XCH-b72a1bbc-8
0.349
WAR-XCH-b72a1bbc-1
0.348
WAR-XCH-b6889685-10
0.345
WAR-XCH-b6889685-61
0.344
WAR-XCH-b72a1bbc-25
0.344
WAR-XCH-b6889685-19
0.341
WAR-XCH-b6889685-1
0.341
WAR-XCH-b72a1bbc-28
0.337
WAR-XCH-b6889685-14
0.333
WAR-XCH-b6889685-52
0.330
WAR-XCH-b72a1bbc-22
0.330
WAR-XCH-b72a1bbc-32
0.330
WAR-XCH-b6889685-9
0.330