Molecular Properties | |
SMILES: | COCC(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1ncccn1 |
MW: | 439.12 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 78.87 |
cLogP: | 1.95 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-23
0.684
NIM-UNI-310206f0-24
0.667
NIM-UNI-310206f0-18
0.614
NIM-UNI-310206f0-41
0.612
NIM-UNI-310206f0-22
0.607
NIM-UNI-310206f0-43
0.600
NIM-UNI-310206f0-16
0.591
NIM-UNI-310206f0-14
0.588
NIM-UNI-310206f0-11
0.583
NIM-UNI-310206f0-49
0.581
NIM-UNI-310206f0-13
0.566
NIM-UNI-310206f0-12
0.561
NIM-UNI-310206f0-37
0.561
NIM-UNI-310206f0-17
0.560
NIM-UNI-310206f0-21
0.559
NIM-UNI-310206f0-6
0.557
NIM-UNI-310206f0-20
0.554
NIM-UNI-310206f0-60
0.553
NIM-UNI-310206f0-15
0.528
NIM-UNI-310206f0-19
0.505
NIM-UNI-310206f0-28
0.495
NIM-UNI-310206f0-5
0.494
NIM-UNI-310206f0-29
0.464
NIM-UNI-310206f0-45
0.462
NIM-UNI-310206f0-25
0.453
NIM-UNI-310206f0-4
0.451
NIM-UNI-310206f0-36
0.449
NIM-UNI-310206f0-48
0.446
NIM-UNI-310206f0-1
0.444
NIM-UNI-310206f0-26
0.437
NIM-UNI-310206f0-44
0.436
NIM-UNI-310206f0-57
0.434
NIM-UNI-310206f0-7
0.432
NIM-UNI-310206f0-3
0.432
NIM-UNI-310206f0-46
0.432
NIM-UNI-310206f0-42
0.427
NIM-UNI-310206f0-38
0.426
NIM-UNI-310206f0-27
0.423
NIM-UNI-310206f0-8
0.422
NIM-UNI-310206f0-51
0.421
NIM-UNI-310206f0-63
0.419
NIM-UNI-310206f0-50
0.417
NIM-UNI-310206f0-34
0.412
NIM-UNI-310206f0-56
0.411
VIK-SYN-9a3d118a-4
0.411
VIK-SYN-bf9c9ac8-7
0.411
MAR-TRE-6a44bbf2-87
0.411
NIM-UNI-310206f0-9
0.409
NIM-UNI-310206f0-59
0.405
NIM-UNI-310206f0-65
0.404
NIM-UNI-310206f0-64
0.404
NIM-UNI-310206f0-58
0.402
NIM-UNI-310206f0-53
0.402
NIM-UNI-310206f0-40
0.400
NIM-UNI-310206f0-33
0.393
NIM-UNI-310206f0-66
0.387
NIM-UNI-310206f0-2
0.386
NIM-UNI-310206f0-39
0.385
NIM-UNI-310206f0-55
0.385
NIM-UNI-310206f0-54
0.382
NIM-UNI-310206f0-61
0.382
NIM-UNI-310206f0-35
0.381
NIM-UNI-310206f0-47
0.375
NIM-UNI-310206f0-30
0.374
NIM-UNI-310206f0-31
0.374
NIM-UNI-310206f0-62
0.363
NIM-UNI-310206f0-52
0.360
SAD-SAT-65574d3f-9
0.354
SAD-SAT-5b1897b2-3
0.354
NIM-UNI-310206f0-10
0.354
SAD-SAT-5b1897b2-4
0.350
MAT-POS-162a9720-2
0.345
NIL-NON-a189c016-1
0.345
SAD-SAT-5b1897b2-10
0.342
AAR-POS-0daf6b7e-18
0.338
SAD-SAT-5b1897b2-5
0.337
MAT-POS-162a9720-4
0.333
MAR-TRE-6a44bbf2-41
0.326
SAD-SAT-5b1897b2-8
0.325
SAD-SAT-5b1897b2-1
0.321
DRR-IMP-38dce17f-5
0.317
SWA-SYN-d2e6fa14-6
0.310
SWA-SYN-6423ea73-6
0.310
DRR-IMP-38dce17f-2
0.306
DAR-DIA-fb20be43-5
0.305
MED-COV-4280ac29-33
0.303
MAK-UNK-849bee6c-14
0.303
MED-COV-4280ac29-37
0.301
AHN-SAT-de2502ba-15
0.299
DRR-IMP-38dce17f-4
0.298
MAK-UNK-849bee6c-5
0.294
SAD-SAT-581007d4-1
0.294
SAD-SAT-581007d4-2
0.294
AAR-POS-d2a4d1df-24
0.294
JOH-UNI-27ac80fd-38
0.293
SAD-SAT-5b1897b2-2
0.291
DRR-IMP-38dce17f-1
0.289
SAD-SAT-581007d4-4
0.289
VIK-SYN-9a3d118a-2
0.287
VIK-SYN-bf9c9ac8-6
0.287