Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2CCC(N3Cc4ccccc4C(c4ccccc4)C3)CC2)cc1 |
MW: | 447.604 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.64 |
cLogP: | 3.9505 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-b72a1bbc-22
0.607
JAR-IMP-ed466bb3-9
0.529
JAR-IMP-ed466bb3-13
0.482
WAR-XCH-b72a1bbc-11
0.453
WAR-XCH-b72a1bbc-10
0.447
WAR-XCH-b6889685-51
0.443
WAR-XCH-b6889685-62
0.439
WAR-XCH-b72a1bbc-12
0.436
WAR-XCH-b6889685-10
0.414
JAR-IMP-ed466bb3-14
0.413
WAR-XCH-b72a1bbc-28
0.402
WAR-XCH-b6889685-29
0.390
WAR-XCH-b72a1bbc-14
0.387
WAR-XCH-b72a1bbc-16
0.383
WAR-XCH-b6889685-61
0.380
JAR-IMP-ed466bb3-16
0.376
JAR-IMP-ed466bb3-6
0.374
WAR-XCH-b72a1bbc-7
0.370
WAR-XCH-b72a1bbc-9
0.368
WAR-XCH-b72a1bbc-48
0.366
WAR-XCH-b72a1bbc-6
0.366
WAR-XCH-b6889685-11
0.366
AAR-POS-0daf6b7e-14
0.365
WAR-XCH-b6889685-52
0.364
WAR-XCH-b6889685-23
0.362
WAR-XCH-b6889685-8
0.362
WAR-XCH-b72a1bbc-49
0.361
WAR-XCH-b6889685-59
0.360
WAR-XCH-b6889685-33
0.360
JAR-IMP-ed466bb3-4
0.356
WAR-XCH-b6889685-53
0.354
REN-UFA-aaaed2d6-6
0.354
REN-UFA-aaaed2d6-5
0.354
WAR-XCH-b72a1bbc-15
0.354
WAR-XCH-b6889685-3
0.352
WAR-XCH-b6889685-54
0.350
WAR-XCH-b72a1bbc-5
0.349
WAR-XCH-b6889685-58
0.348
WAR-XCH-b6889685-46
0.348
REN-UFA-aaaed2d6-3
0.348
WAR-XCH-b6889685-6
0.348
WAR-XCH-b6889685-39
0.348
JAR-IMP-ed466bb3-17
0.347
WAR-XCH-b72a1bbc-23
0.346
WAR-XCH-b72a1bbc-18
0.345
WAR-XCH-b72a1bbc-20
0.345
WAR-XCH-b6889685-22
0.344
WAR-XCH-b6889685-7
0.344
SAD-SAT-1f400d17-9
0.344
WAR-XCH-b72a1bbc-26
0.343
WAR-XCH-b72a1bbc-19
0.341
WAR-XCH-b6889685-30
0.341
WAR-XCH-b6889685-63
0.341
REN-UFA-aaaed2d6-2
0.340
WAR-XCH-b6889685-20
0.337
WAR-XCH-b6889685-64
0.337
WAR-XCH-b6889685-18
0.337
JAR-IMP-ed466bb3-8
0.337
WAR-XCH-b6889685-12
0.337
REN-UFA-aaaed2d6-1
0.337
JAR-IMP-ed466bb3-1
0.333
WAR-XCH-b6889685-24
0.333
WAR-XCH-b6889685-45
0.333
WAR-XCH-b72a1bbc-21
0.333
WAR-XCH-b72a1bbc-37
0.333
WAR-XCH-b72a1bbc-39
0.333
WAR-XCH-b72a1bbc-47
0.333
WAR-XCH-b6889685-26
0.333
WAR-XCH-b6889685-17
0.333
JAR-IMP-ed466bb3-7
0.330
WAR-XCH-b6889685-40
0.330
WAR-XCH-b6889685-4
0.330
WAR-XCH-b6889685-5
0.330
WAR-XCH-b6889685-27
0.330
WAR-XCH-b6889685-44
0.330
WAR-XCH-b72a1bbc-42
0.330
WAR-XCH-b6889685-31
0.330
WAR-XCH-b72a1bbc-17
0.330
WAR-XCH-b6889685-55
0.329
WAR-XCH-b6889685-50
0.327
JAR-IMP-ed466bb3-3
0.327
WAR-XCH-b6889685-14
0.326
WAR-XCH-b72a1bbc-8
0.326
WAR-XCH-b6889685-32
0.326
WAR-XCH-b6889685-43
0.326
WAR-XCH-b72a1bbc-27
0.324
WAR-XCH-b72a1bbc-25
0.324
WAR-XCH-b6889685-9
0.323
WAR-XCH-b72a1bbc-41
0.323
WAR-XCH-b6889685-2
0.323
WAR-XCH-b72a1bbc-44
0.322
WAR-XCH-b6889685-56
0.322
NIR-THE-c331be7a-5
0.320
MIH-UNI-e573136b-12
0.320
TAM-UNI-d1c3dd9f-3
0.320
WAR-XCH-b72a1bbc-1
0.320
WAR-XCH-b72a1bbc-29
0.320
RAI-NOV-a7d52b4a-2
0.320
WAR-XCH-b6889685-1
0.319
WAR-XCH-b6889685-16
0.319