Molecular Properties | |
SMILES: | CN(CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(Br)s1 |
MW: | 444.42 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 3.5108 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
WAR-XCH-b6889685-2
0.742
WAR-XCH-b6889685-3
0.643
WAR-XCH-b6889685-5
0.592
WAR-XCH-b72a1bbc-48
0.576
WAR-XCH-b6889685-4
0.569
WAR-XCH-b72a1bbc-49
0.567
WAR-XCH-b6889685-6
0.547
WAR-XCH-b6889685-7
0.539
WAR-XCH-b72a1bbc-14
0.524
WAR-XCH-b6889685-21
0.520
WAR-XCH-b72a1bbc-5
0.507
WAR-XCH-b6889685-13
0.487
WAR-XCH-b72a1bbc-39
0.486
WAR-XCH-b72a1bbc-23
0.485
WAR-XCH-b6889685-53
0.478
WAR-XCH-b6889685-20
0.471
WAR-XCH-b6889685-54
0.471
WAR-XCH-b6889685-44
0.468
WAR-XCH-b6889685-32
0.467
WAR-XCH-b72a1bbc-30
0.464
WAR-XCH-b72a1bbc-40
0.443
WAR-XCH-b6889685-64
0.442
WAR-XCH-b72a1bbc-21
0.440
WAR-XCH-b6889685-57
0.440
WAR-XCH-b72a1bbc-20
0.438
WAR-XCH-b72a1bbc-43
0.436
WAR-XCH-b72a1bbc-9
0.433
WAR-XCH-b72a1bbc-19
0.432
WAR-XCH-b6889685-62
0.429
WAR-XCH-b72a1bbc-6
0.425
WAR-XCH-b72a1bbc-44
0.423
WAR-XCH-b6889685-15
0.423
WAR-XCH-b6889685-14
0.422
WAR-XCH-b6889685-55
0.419
WAR-XCH-b72a1bbc-37
0.418
WAR-XCH-b6889685-19
0.418
WAR-XCH-b6889685-22
0.412
WAR-XCH-b72a1bbc-33
0.410
WAR-XCH-b72a1bbc-45
0.410
WAR-XCH-b6889685-56
0.408
WAR-XCH-b72a1bbc-16
0.405
WAR-XCH-b6889685-23
0.403
WAR-XCH-b72a1bbc-36
0.400
WAR-XCH-b6889685-45
0.400
WAR-XCH-b6889685-12
0.400
WAR-XCH-b6889685-16
0.398
WAR-XCH-b6889685-59
0.397
WAR-XCH-b72a1bbc-42
0.395
WAR-XCH-b72a1bbc-31
0.393
WAR-XCH-b72a1bbc-7
0.392
WAR-XCH-b6889685-48
0.390
WAR-XCH-b6889685-63
0.390
WAR-XCH-b6889685-34
0.389
WAR-XCH-b72a1bbc-38
0.388
WAR-XCH-b72a1bbc-12
0.387
WAR-XCH-b72a1bbc-34
0.386
WAR-XCH-b72a1bbc-41
0.386
WAR-XCH-b6889685-10
0.386
WAR-XCH-b6889685-18
0.386
WAR-XCH-b6889685-25
0.385
WAR-XCH-b6889685-26
0.385
WAR-XCH-b6889685-11
0.384
WAR-XCH-b72a1bbc-11
0.384
WAR-XCH-b6889685-58
0.383
WAR-XCH-b6889685-17
0.381
WAR-XCH-b72a1bbc-47
0.381
WAR-XCH-b72a1bbc-1
0.379
WAR-XCH-b72a1bbc-10
0.378
WAR-XCH-b72a1bbc-29
0.378
WAR-XCH-b72a1bbc-46
0.376
WAR-XCH-b6889685-43
0.375
WAR-XCH-b72a1bbc-15
0.373
WAR-XCH-b72a1bbc-35
0.372
WAR-XCH-b6889685-24
0.368
WAR-XCH-b6889685-61
0.368
WAR-XCH-b72a1bbc-24
0.367
WAR-XCH-b72a1bbc-32
0.367
WAR-XCH-b6889685-46
0.366
WAR-XCH-b6889685-8
0.364
WAR-XCH-b72a1bbc-18
0.364
WAR-XCH-b6889685-31
0.362
WAR-XCH-b72a1bbc-17
0.362
WAR-XCH-b6889685-33
0.362
WAR-XCH-b6889685-47
0.361
WAR-XCH-b6889685-27
0.361
WAR-XCH-b72a1bbc-28
0.360
WAR-XCH-b6889685-29
0.359
WAR-XCH-b6889685-30
0.358
WAR-XCH-b72a1bbc-8
0.357
WAR-XCH-b6889685-9
0.352
WAR-XCH-b72a1bbc-22
0.351
WAR-XCH-b6889685-28
0.349
WAR-XCH-b6889685-42
0.345
WAR-XCH-b72a1bbc-26
0.344
WAR-XCH-b6889685-60
0.344
WAR-XCH-b6889685-49
0.341
WAR-XCH-b72a1bbc-25
0.337
WAR-XCH-b6889685-35
0.330
WAR-XCH-b6889685-50
0.326
WAR-XCH-b72a1bbc-27
0.323