Molecular Properties | |
SMILES: | Cc1cc(C(=O)N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2ncccn2)no1 |
MW: | 476.12 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 95.67 |
cLogP: | 2.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-23
0.667
NIM-UNI-310206f0-43
0.644
NIM-UNI-310206f0-16
0.633
NIM-UNI-310206f0-32
0.612
NIM-UNI-310206f0-19
0.598
NIM-UNI-310206f0-51
0.596
NIM-UNI-310206f0-64
0.584
NIM-UNI-310206f0-22
0.578
NIM-UNI-310206f0-18
0.567
NIM-UNI-310206f0-24
0.560
NIM-UNI-310206f0-13
0.557
NIM-UNI-310206f0-17
0.536
NIM-UNI-310206f0-12
0.534
NIM-UNI-310206f0-14
0.527
NIM-UNI-310206f0-11
0.522
NIM-UNI-310206f0-20
0.511
NIM-UNI-310206f0-49
0.510
NIM-UNI-310206f0-6
0.506
NIM-UNI-310206f0-15
0.505
NIM-UNI-310206f0-21
0.505
NIM-UNI-310206f0-28
0.490
NIM-UNI-310206f0-34
0.485
NIM-UNI-310206f0-5
0.455
NIM-UNI-310206f0-46
0.444
NIM-UNI-310206f0-59
0.442
NIM-UNI-310206f0-52
0.434
NIM-UNI-310206f0-29
0.429
NIM-UNI-310206f0-40
0.427
NIM-UNI-310206f0-27
0.422
NIM-UNI-310206f0-44
0.420
NIM-UNI-310206f0-25
0.419
NIM-UNI-310206f0-57
0.419
NIM-UNI-310206f0-36
0.417
NIM-UNI-310206f0-48
0.414
NIM-UNI-310206f0-7
0.414
NIM-UNI-310206f0-42
0.412
NIM-UNI-310206f0-1
0.409
NIM-UNI-310206f0-37
0.406
NIM-UNI-310206f0-26
0.404
NIM-UNI-310206f0-65
0.404
NIM-UNI-310206f0-50
0.404
NIM-UNI-310206f0-4
0.400
NIM-UNI-310206f0-45
0.400
NIM-UNI-310206f0-3
0.398
NIM-UNI-310206f0-38
0.396
NIM-UNI-310206f0-60
0.391
NIM-UNI-310206f0-63
0.390
NIM-UNI-310206f0-56
0.386
NIM-UNI-310206f0-9
0.379
NIM-UNI-310206f0-58
0.377
VIK-SYN-9a3d118a-4
0.375
VIK-SYN-bf9c9ac8-7
0.375
MAR-TRE-6a44bbf2-87
0.375
NIM-UNI-310206f0-8
0.374
NIM-UNI-310206f0-55
0.373
NIM-UNI-310206f0-2
0.372
NIM-UNI-310206f0-61
0.371
NIM-UNI-310206f0-54
0.370
NIM-UNI-310206f0-53
0.365
NIM-UNI-310206f0-66
0.364
NIM-UNI-310206f0-47
0.364
NIM-UNI-310206f0-31
0.363
NIM-UNI-310206f0-39
0.360
NIM-UNI-310206f0-33
0.357
NIM-UNI-310206f0-62
0.353
NIM-UNI-310206f0-35
0.345
NIM-UNI-310206f0-30
0.341
SAD-SAT-5b1897b2-4
0.337
NIM-UNI-310206f0-10
0.330
SAD-SAT-5b1897b2-3
0.326
SAD-SAT-65574d3f-9
0.326
MAT-POS-162a9720-2
0.319
NIL-NON-a189c016-1
0.319
SAD-SAT-5b1897b2-10
0.314
MAT-POS-162a9720-4
0.306
SWA-SYN-6423ea73-6
0.301
MAR-TRE-6a44bbf2-41
0.301
SWA-SYN-d2e6fa14-6
0.301
SAD-SAT-5b1897b2-8
0.300
AAR-POS-0daf6b7e-18
0.295
SAD-SAT-5b1897b2-1
0.295
DRR-IMP-38dce17f-5
0.292
DRR-IMP-38dce17f-4
0.289
MAR-TRE-6a44bbf2-29
0.287
AAR-POS-d2a4d1df-24
0.286
SAD-SAT-581007d4-2
0.286
SAD-SAT-5b1897b2-5
0.284
DRR-IMP-38dce17f-2
0.283
SAD-SAT-581007d4-4
0.281
VIK-SYN-9a3d118a-2
0.280
VIK-SYN-bf9c9ac8-6
0.280
AHN-SAT-de2502ba-15
0.277
GIA-UNK-7337c2f3-5
0.276
GIA-UNK-7337c2f3-8
0.276
MAK-UNK-849bee6c-5
0.275
MAR-LAB-ca4662a6-2
0.275
PEI-IMP-ca0b2813-2
0.275
MAK-UNK-849bee6c-1
0.274
MED-COV-4280ac29-23
0.273
SAD-SAT-3a925b8b-4
0.273