Molecular Properties | |
SMILES: | Cc1cc(C(=O)N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2cccc3[nH]ccc23)no1 |
MW: | 513.14 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.68 |
cLogP: | 4.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-57
0.701
NIM-UNI-310206f0-59
0.689
NIM-UNI-310206f0-65
0.676
NIM-UNI-310206f0-60
0.657
NIM-UNI-310206f0-52
0.648
NIM-UNI-310206f0-50
0.645
NIM-UNI-310206f0-53
0.617
NIM-UNI-310206f0-56
0.611
NIM-UNI-310206f0-66
0.609
NIM-UNI-310206f0-30
0.588
NIM-UNI-310206f0-41
0.584
NIM-UNI-310206f0-39
0.575
NIM-UNI-310206f0-55
0.575
NIM-UNI-310206f0-47
0.566
NIM-UNI-310206f0-33
0.564
NIM-UNI-310206f0-61
0.562
NIM-UNI-310206f0-58
0.559
NIM-UNI-310206f0-62
0.539
NIM-UNI-310206f0-51
0.505
NIM-UNI-310206f0-10
0.481
NIM-UNI-310206f0-19
0.455
NIM-UNI-310206f0-16
0.442
NIM-UNI-310206f0-49
0.441
NIM-UNI-310206f0-34
0.429
NIM-UNI-310206f0-23
0.425
NIM-UNI-310206f0-6
0.419
NIM-UNI-310206f0-31
0.405
NIM-UNI-310206f0-32
0.404
NIM-UNI-310206f0-22
0.398
NIM-UNI-310206f0-43
0.395
NIM-UNI-310206f0-40
0.393
NIM-UNI-310206f0-13
0.391
NIM-UNI-310206f0-17
0.387
NIM-UNI-310206f0-24
0.386
NIM-UNI-310206f0-11
0.381
NIM-UNI-310206f0-18
0.377
NIM-UNI-310206f0-14
0.374
NIM-UNI-310206f0-12
0.373
NIM-UNI-310206f0-46
0.371
NIM-UNI-310206f0-15
0.371
NIM-UNI-310206f0-25
0.370
NIM-UNI-310206f0-20
0.369
NIM-UNI-310206f0-48
0.368
NIM-UNI-310206f0-21
0.366
NIM-UNI-310206f0-29
0.364
NIM-UNI-310206f0-44
0.362
NIM-UNI-310206f0-28
0.361
NIM-UNI-310206f0-1
0.359
NIM-UNI-310206f0-36
0.357
NIM-UNI-310206f0-54
0.355
NIM-UNI-310206f0-38
0.353
NIM-UNI-310206f0-27
0.353
NIM-UNI-310206f0-4
0.352
NIM-UNI-310206f0-7
0.350
NIM-UNI-310206f0-3
0.350
NIM-UNI-310206f0-37
0.348
NIM-UNI-310206f0-26
0.345
NIM-UNI-310206f0-45
0.345
NIM-UNI-310206f0-42
0.345
NIM-UNI-310206f0-5
0.333
NIM-UNI-310206f0-63
0.325
NIM-UNI-310206f0-9
0.324
NIM-UNI-310206f0-35
0.323
NIM-UNI-310206f0-2
0.318
NIM-UNI-310206f0-8
0.318
GIA-UNK-b9c616ea-5
0.315
SAD-SAT-5b1897b2-4
0.310
NIL-NON-a189c016-1
0.308
MAT-POS-162a9720-2
0.308
SAD-SAT-65574d3f-9
0.300
MAT-POS-162a9720-4
0.296
SAD-SAT-5b1897b2-10
0.277
NIR-THE-0d6461ce-3
0.272
MAR-TRE-6a44bbf2-41
0.269
AAR-POS-d2a4d1df-24
0.267
DRR-IMP-38dce17f-2
0.264
AAR-POS-0daf6b7e-18
0.262
MAK-UNK-176ca439-7
0.261
VIK-SYN-bf9c9ac8-7
0.260
VIK-SYN-9a3d118a-4
0.260
MAR-TRE-6a44bbf2-87
0.260
MAK-UNK-10572812-11
0.259
GIA-UNK-7337c2f3-5
0.259
MAK-UNK-69e28b36-1
0.257
MAK-UNK-176ca439-6
0.257
MED-COV-4280ac29-23
0.257
SAD-SAT-5b1897b2-8
0.255
SAD-SAT-5b1897b2-5
0.255
AAR-POS-d2a4d1df-23
0.252
BEN-DND-03406596-10
0.252
LON-WEI-8f408cad-4
0.252
MAR-TRE-6a44bbf2-18
0.252
GIA-UNK-4de5abb1-4
0.252
NAU-LAT-356bd3c2-3
0.252
MIC-UNK-221d8b72-1
0.252
NIM-UNI-594fbbb6-3
0.252
NIM-UNI-bb610069-3
0.252
SAD-SAT-5b1897b2-3
0.250
DAR-DIA-fb20be43-9
0.250
GIA-UNK-7337c2f3-13
0.250