Molecular Properties | |
SMILES: | CC(C)C(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1ncccn1 |
MW: | 437.14 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 69.64 |
cLogP: | 2.96 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-32
0.684
NIM-UNI-310206f0-41
0.667
NIM-UNI-310206f0-24
0.642
NIM-UNI-310206f0-13
0.641
NIM-UNI-310206f0-43
0.634
NIM-UNI-310206f0-18
0.630
NIM-UNI-310206f0-22
0.622
NIM-UNI-310206f0-16
0.605
NIM-UNI-310206f0-20
0.588
NIM-UNI-310206f0-11
0.578
NIM-UNI-310206f0-12
0.575
NIM-UNI-310206f0-6
0.574
NIM-UNI-310206f0-17
0.573
NIM-UNI-310206f0-29
0.571
NIM-UNI-310206f0-14
0.565
NIM-UNI-310206f0-49
0.559
NIM-UNI-310206f0-21
0.554
NIM-UNI-310206f0-15
0.540
NIM-UNI-310206f0-57
0.538
NIM-UNI-310206f0-19
0.516
NIM-UNI-310206f0-5
0.506
NIM-UNI-310206f0-28
0.505
NIM-UNI-310206f0-25
0.500
NIM-UNI-310206f0-36
0.460
NIM-UNI-310206f0-1
0.456
NIM-UNI-310206f0-37
0.448
NIM-UNI-310206f0-26
0.447
NIM-UNI-310206f0-27
0.447
NIM-UNI-310206f0-44
0.446
NIM-UNI-310206f0-51
0.446
NIM-UNI-310206f0-3
0.443
NIM-UNI-310206f0-7
0.443
VIK-SYN-bf9c9ac8-7
0.443
MAR-TRE-6a44bbf2-87
0.443
VIK-SYN-9a3d118a-4
0.443
NIM-UNI-310206f0-46
0.441
NIM-UNI-310206f0-45
0.440
NIM-UNI-310206f0-42
0.436
NIM-UNI-310206f0-38
0.435
NIM-UNI-310206f0-63
0.429
NIM-UNI-310206f0-4
0.427
NIM-UNI-310206f0-60
0.426
NIM-UNI-310206f0-50
0.425
NIM-UNI-310206f0-64
0.425
NIM-UNI-310206f0-48
0.424
NIM-UNI-310206f0-34
0.421
NIM-UNI-310206f0-55
0.420
NIM-UNI-310206f0-56
0.419
NIM-UNI-310206f0-8
0.415
NIM-UNI-310206f0-59
0.413
NIM-UNI-310206f0-2
0.412
NIM-UNI-310206f0-65
0.411
NIM-UNI-310206f0-53
0.410
NIM-UNI-310206f0-40
0.408
NIM-UNI-310206f0-9
0.402
NIM-UNI-310206f0-58
0.396
NIM-UNI-310206f0-39
0.392
NIM-UNI-310206f0-54
0.390
NIM-UNI-310206f0-61
0.389
NIM-UNI-310206f0-47
0.382
NIM-UNI-310206f0-66
0.382
NIM-UNI-310206f0-31
0.381
NIM-UNI-310206f0-10
0.375
NIM-UNI-310206f0-35
0.375
NIM-UNI-310206f0-33
0.374
NIM-UNI-310206f0-62
0.369
NIM-UNI-310206f0-30
0.368
NIM-UNI-310206f0-52
0.366
SAD-SAT-5b1897b2-3
0.364
SAD-SAT-5b1897b2-10
0.351
MAR-TRE-6a44bbf2-41
0.349
SAD-SAT-65574d3f-9
0.346
MAT-POS-162a9720-4
0.342
SAD-SAT-5b1897b2-4
0.342
NIL-NON-a189c016-1
0.337
MAT-POS-162a9720-2
0.337
SAD-SAT-5b1897b2-8
0.333
SAD-SAT-5b1897b2-1
0.329
VIK-SYN-9a3d118a-2
0.325
VIK-SYN-bf9c9ac8-6
0.325
DRR-IMP-38dce17f-5
0.325
SWA-SYN-6423ea73-6
0.318
SWA-SYN-d2e6fa14-6
0.318
MAK-UNK-7c9d1431-20
0.317
SAD-SAT-5b1897b2-5
0.314
DRR-IMP-38dce17f-2
0.313
AAR-POS-0daf6b7e-18
0.312
MAK-UNK-6ca90168-10
0.312
DRR-IMP-38dce17f-4
0.305
DRR-IMP-38dce17f-6
0.304
GIA-UNK-7337c2f3-8
0.303
GIA-UNK-7337c2f3-5
0.303
AAR-POS-d2a4d1df-24
0.301
SAD-SAT-581007d4-1
0.301
SAD-SAT-581007d4-2
0.301
DAR-DIA-fb20be43-1
0.301
MED-COV-4280ac29-23
0.300
MAK-UNK-849bee6c-5
0.300
MAK-UNK-af83ef51-17
0.298
VIK-SYN-bf9c9ac8-1
0.297