Molecular Properties | |
SMILES: | Cc1noc(C)c1NC(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1cccc2[nH]ccc12 |
MW: | 542.16 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.71 |
cLogP: | 5.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-50
0.721
NIM-UNI-310206f0-64
0.689
NIM-UNI-310206f0-56
0.670
NIM-UNI-310206f0-57
0.663
NIM-UNI-310206f0-30
0.658
NIM-UNI-310206f0-16
0.644
NIM-UNI-310206f0-60
0.638
NIM-UNI-310206f0-66
0.636
NIM-UNI-310206f0-53
0.600
NIM-UNI-310206f0-65
0.598
NIM-UNI-310206f0-52
0.574
NIM-UNI-310206f0-47
0.565
NIM-UNI-310206f0-61
0.561
NIM-UNI-310206f0-39
0.560
NIM-UNI-310206f0-55
0.560
NIM-UNI-310206f0-40
0.551
NIM-UNI-310206f0-58
0.544
NIM-UNI-310206f0-62
0.538
NIM-UNI-310206f0-33
0.535
NIM-UNI-310206f0-10
0.468
NIM-UNI-310206f0-22
0.450
NIM-UNI-310206f0-41
0.442
NIM-UNI-310206f0-49
0.430
NIM-UNI-310206f0-21
0.413
NIM-UNI-310206f0-23
0.413
NIM-UNI-310206f0-6
0.406
NIM-UNI-310206f0-32
0.405
NIM-UNI-310206f0-18
0.404
NIM-UNI-310206f0-17
0.400
NIM-UNI-310206f0-19
0.395
NIM-UNI-310206f0-51
0.388
NIM-UNI-310206f0-24
0.388
NIM-UNI-310206f0-44
0.388
NIM-UNI-310206f0-15
0.385
NIM-UNI-310206f0-43
0.385
NIM-UNI-310206f0-34
0.381
NIM-UNI-310206f0-14
0.376
NIM-UNI-310206f0-12
0.375
NIM-UNI-310206f0-31
0.373
NIM-UNI-310206f0-20
0.372
NIM-UNI-310206f0-11
0.371
NIM-UNI-310206f0-42
0.370
NIM-UNI-310206f0-54
0.369
NIM-UNI-310206f0-13
0.368
NIM-UNI-310206f0-28
0.364
NIM-UNI-310206f0-25
0.360
NIM-UNI-310206f0-36
0.360
NIM-UNI-310206f0-29
0.355
NIM-UNI-310206f0-3
0.352
NIM-UNI-310206f0-7
0.352
NIM-UNI-310206f0-46
0.350
NIM-UNI-310206f0-1
0.349
NIM-UNI-310206f0-26
0.348
NIM-UNI-310206f0-48
0.347
NIM-UNI-310206f0-35
0.346
NIM-UNI-310206f0-27
0.344
NIM-UNI-310206f0-37
0.339
NIM-UNI-310206f0-63
0.339
NIM-UNI-310206f0-5
0.336
NIM-UNI-310206f0-45
0.336
NIM-UNI-310206f0-38
0.333
NIM-UNI-310206f0-4
0.330
NIM-UNI-310206f0-9
0.327
NIM-UNI-310206f0-8
0.321
MAT-POS-162a9720-4
0.313
NIM-UNI-310206f0-2
0.310
SAD-SAT-5b1897b2-4
0.301
MAT-POS-162a9720-2
0.299
NIL-NON-a189c016-1
0.299
SAD-SAT-65574d3f-9
0.291
GIA-UNK-b9c616ea-5
0.284
JAG-UCB-a3ef7265-9
0.282
TAT-ENA-80bfd3e5-30
0.270
MAK-UNK-69e28b36-1
0.270
MAK-UNK-176ca439-6
0.270
SAD-SAT-5b1897b2-10
0.269
AAR-POS-0daf6b7e-18
0.267
MAK-UNK-176ca439-7
0.265
MAR-TRE-6a44bbf2-47
0.261
MAR-TRE-6a44bbf2-41
0.261
MED-COV-4280ac29-23
0.261
MAK-UNK-e4a48a85-27
0.260
AAR-POS-d2a4d1df-24
0.259
DRR-IMP-38dce17f-2
0.257
MAR-TRE-6a44bbf2-24
0.257
NAU-LAT-356bd3c2-8
0.256
TAM-UNI-d1c3dd9f-12
0.254
LON-WEI-120e5cf5-9
0.254
VIK-SYN-9a3d118a-4
0.252
VIK-SYN-bf9c9ac8-7
0.252
MAR-TRE-6a44bbf2-87
0.252
MAT-POS-162a9720-5
0.252
AHN-SAT-de2502ba-15
0.252
GIA-UNK-7337c2f3-8
0.252
GIA-UNK-7337c2f3-5
0.252
MAR-TRE-6a44bbf2-3
0.250
ANT-STE-dbb91f63-2
0.250
LON-WEI-120e5cf5-2
0.248
NIR-THE-0d6461ce-1
0.248
SAD-SAT-5b1897b2-5
0.248