Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(CN3CCC(c4ccc(Br)s4)CC3)CC2)cc1 |
MW: | 498.512 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 4.254 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
WAR-XCH-b6889685-14
0.754
WAR-XCH-b72a1bbc-5
0.726
WAR-XCH-b72a1bbc-30
0.703
WAR-XCH-b6889685-10
0.616
WAR-XCH-b6889685-12
0.605
WAR-XCH-b72a1bbc-20
0.588
WAR-XCH-b72a1bbc-21
0.586
WAR-XCH-b6889685-11
0.584
WAR-XCH-b72a1bbc-19
0.580
WAR-XCH-b6889685-8
0.577
WAR-XCH-b6889685-9
0.556
WAR-XCH-b72a1bbc-31
0.530
WAR-XCH-b72a1bbc-6
0.529
WAR-XCH-b6889685-21
0.500
WAR-XCH-b6889685-1
0.487
WAR-XCH-b72a1bbc-32
0.482
WAR-XCH-b72a1bbc-14
0.478
WAR-XCH-b72a1bbc-28
0.476
WAR-XCH-b6889685-20
0.472
WAR-XCH-b72a1bbc-29
0.460
WAR-XCH-b6889685-44
0.450
WAR-XCH-b6889685-32
0.449
WAR-XCH-b72a1bbc-24
0.448
WAR-XCH-b72a1bbc-23
0.444
WAR-XCH-b72a1bbc-27
0.441
WAR-XCH-b72a1bbc-49
0.440
WAR-XCH-b72a1bbc-26
0.438
WAR-XCH-b72a1bbc-22
0.429
WAR-XCH-b72a1bbc-25
0.429
WAR-XCH-b72a1bbc-48
0.427
WAR-XCH-b72a1bbc-39
0.427
WAR-XCH-b6889685-5
0.415
WAR-XCH-b6889685-54
0.411
WAR-XCH-b72a1bbc-40
0.410
WAR-XCH-b72a1bbc-16
0.408
WAR-XCH-b72a1bbc-44
0.407
WAR-XCH-b6889685-2
0.405
WAR-XCH-b72a1bbc-37
0.402
WAR-XCH-b6889685-19
0.402
WAR-XCH-b6889685-17
0.400
WAR-XCH-b6889685-22
0.398
WAR-XCH-b72a1bbc-42
0.398
WAR-XCH-b6889685-4
0.398
WAR-XCH-b72a1bbc-33
0.395
WAR-XCH-b72a1bbc-15
0.395
WAR-XCH-b72a1bbc-7
0.395
WAR-XCH-b72a1bbc-9
0.394
WAR-XCH-b72a1bbc-8
0.393
WAR-XCH-b6889685-34
0.391
WAR-XCH-b72a1bbc-38
0.391
WAR-XCH-b6889685-15
0.390
WAR-XCH-b72a1bbc-12
0.390
WAR-XCH-b6889685-3
0.388
WAR-XCH-b6889685-18
0.388
WAR-XCH-b72a1bbc-41
0.388
WAR-XCH-b6889685-57
0.388
WAR-XCH-b72a1bbc-11
0.387
WAR-XCH-b72a1bbc-36
0.386
WAR-XCH-b72a1bbc-43
0.386
WAR-XCH-b6889685-55
0.385
WAR-XCH-b6889685-16
0.384
WAR-XCH-b72a1bbc-17
0.383
WAR-XCH-b72a1bbc-10
0.382
WAR-XCH-b72a1bbc-45
0.379
WAR-XCH-b6889685-53
0.378
WAR-XCH-b6889685-63
0.376
WAR-XCH-b72a1bbc-35
0.375
WAR-XCH-b72a1bbc-34
0.372
WAR-XCH-b6889685-24
0.372
WAR-XCH-b6889685-26
0.370
WAR-XCH-b6889685-45
0.369
WAR-XCH-b6889685-23
0.368
WAR-XCH-b72a1bbc-47
0.368
WAR-XCH-b6889685-6
0.368
WAR-XCH-b6889685-28
0.368
WAR-XCH-b72a1bbc-18
0.367
WAR-XCH-b72a1bbc-46
0.364
WAR-XCH-b6889685-7
0.364
WAR-XCH-b6889685-29
0.362
WAR-XCH-b72a1bbc-1
0.362
WAR-XCH-b6889685-43
0.361
WAR-XCH-b6889685-48
0.360
WAR-XCH-b6889685-56
0.358
WAR-XCH-b6889685-51
0.356
WAR-XCH-b6889685-46
0.353
WAR-XCH-b6889685-59
0.349
WAR-XCH-b6889685-31
0.349
WAR-XCH-b6889685-33
0.349
WAR-XCH-b6889685-30
0.345
WAR-XCH-b6889685-62
0.345
WAR-XCH-b6889685-50
0.344
WAR-XCH-b6889685-64
0.341
WAR-XCH-b6889685-61
0.341
WAR-XCH-b6889685-25
0.337
WAR-XCH-b6889685-58
0.337
WAR-XCH-b6889685-27
0.333
WAR-XCH-b6889685-47
0.333
WAR-XCH-b6889685-52
0.327
WAR-XCH-b6889685-41
0.326
WAR-XCH-b6889685-38
0.323