Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(CC3CC3)C(=O)NCc3cccc(F)c3)cc2F)CC1 |
MW: | 494.17 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 55.89 |
cLogP: | 4.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
MED-COV-4280ac29-15
NIM-UNI-310206f0-17
0.628
NIM-UNI-310206f0-42
0.591
NIM-UNI-310206f0-63
0.589
NIM-UNI-310206f0-35
0.576
NIM-UNI-310206f0-40
0.573
NIM-UNI-310206f0-66
0.571
NIM-UNI-310206f0-29
0.558
NIM-UNI-310206f0-46
0.547
NIM-UNI-310206f0-38
0.543
NIM-UNI-310206f0-37
0.527
NIM-UNI-310206f0-51
0.521
NIM-UNI-310206f0-25
0.495
NIM-UNI-310206f0-31
0.491
NIM-UNI-310206f0-45
0.485
NIM-UNI-310206f0-26
0.478
NIM-UNI-310206f0-36
0.474
NIM-UNI-310206f0-48
0.469
NIM-UNI-310206f0-6
0.463
NIM-UNI-310206f0-44
0.460
NIM-UNI-310206f0-27
0.447
NIM-UNI-310206f0-18
0.436
NIM-UNI-310206f0-8
0.433
NIM-UNI-310206f0-34
0.423
NIM-UNI-310206f0-1
0.422
DRR-IMP-38dce17f-2
0.419
NIM-UNI-310206f0-22
0.417
NIM-UNI-310206f0-12
0.404
NIM-UNI-310206f0-14
0.404
NIM-UNI-310206f0-43
0.400
NIM-UNI-310206f0-56
0.397
NIM-UNI-310206f0-21
0.393
NIM-UNI-310206f0-23
0.390
NIM-UNI-310206f0-20
0.386
NIM-UNI-310206f0-16
0.385
NIM-UNI-310206f0-11
0.385
NIM-UNI-310206f0-55
0.384
NIM-UNI-310206f0-13
0.382
NIM-UNI-310206f0-32
0.382
NIM-UNI-310206f0-7
0.380
NIM-UNI-310206f0-57
0.378
NIM-UNI-310206f0-50
0.378
NIM-UNI-310206f0-9
0.378
NIM-UNI-310206f0-24
0.377
NIM-UNI-310206f0-28
0.376
NIM-UNI-310206f0-58
0.376
NIM-UNI-310206f0-5
0.375
NIM-UNI-310206f0-47
0.375
NIM-UNI-310206f0-15
0.374
NIM-UNI-310206f0-39
0.372
NIM-UNI-310206f0-41
0.370
NIM-UNI-310206f0-59
0.369
NIM-UNI-310206f0-4
0.368
NIM-UNI-310206f0-10
0.368
NIM-UNI-310206f0-65
0.367
NIM-UNI-310206f0-3
0.366
NIM-UNI-310206f0-60
0.365
NIM-UNI-310206f0-30
0.363
NIM-UNI-310206f0-33
0.356
NIM-UNI-310206f0-64
0.355
NIM-UNI-310206f0-53
0.353
NIM-UNI-310206f0-62
0.352
NIM-UNI-310206f0-49
0.350
NIM-UNI-310206f0-19
0.348
NIM-UNI-310206f0-61
0.347
NIM-UNI-310206f0-2
0.343
MAR-TRE-6a44bbf2-3
0.340
NIM-UNI-310206f0-52
0.339
GIA-UNK-7337c2f3-5
0.330
BEN-DND-76ad4ac9-7
0.330
SAD-SAT-5b1897b2-10
0.330
SAD-SAT-c989feaa-1
0.327
LON-WEI-8f408cad-4
0.326
AAR-POS-d2a4d1df-23
0.326
BEN-DND-03406596-10
0.326
MAR-TRE-6a44bbf2-18
0.326
MAK-UNK-942dcb71-3
0.323
MAT-POS-162a9720-4
0.322
BEN-DND-76ad4ac9-4
0.319
BEN-DND-76ad4ac9-3
0.316
TAM-UNI-d1c3dd9f-12
0.314
SAD-SAT-65574d3f-9
0.311
SAD-SAT-5b1897b2-4
0.308
GIA-UNK-4de5abb1-4
0.307
AHN-SAT-de2502ba-15
0.305
NIL-NON-a189c016-1
0.305
MAT-POS-162a9720-2
0.305
HYO-UNK-49a60884-1
0.304
JOH-UNI-0e1753c1-3
0.304
MED-COV-4280ac29-15
0.304
AAR-POS-d2a4d1df-35
0.304
SAD-SAT-29425be4-9
0.303
JON-MCD-47e58de1-1
0.302
AAR-POS-d2a4d1df-24
0.301
MAK-UNK-752736de-2
0.300
MAK-UNK-942dcb71-4
0.297
SAD-SAT-f25ee457-1
0.296
VIT-UNK-2a0afa28-1
0.291
DRR-IMP-38dce17f-4
0.290
BEN-DND-03406596-3
0.290
BEN-DND-76ad4ac9-14
0.290