Molecular Properties | |
SMILES: | COCCS(=O)(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1ncccn1 |
MW: | 489.1 |
Fraction sp3: | 0.42 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 95.94 |
cLogP: | 1.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-13
0.667
NIM-UNI-310206f0-12
0.662
NIM-UNI-310206f0-19
0.593
NIM-UNI-310206f0-32
0.588
NIM-UNI-310206f0-45
0.586
NIM-UNI-310206f0-28
0.582
NIM-UNI-310206f0-58
0.582
NIM-UNI-310206f0-23
0.565
NIM-UNI-310206f0-11
0.551
NIM-UNI-310206f0-41
0.527
NIM-UNI-310206f0-20
0.523
NIM-UNI-310206f0-6
0.520
NIM-UNI-310206f0-15
0.516
NIM-UNI-310206f0-18
0.511
NIM-UNI-310206f0-22
0.505
NIM-UNI-310206f0-43
0.500
NIM-UNI-310206f0-16
0.495
NIM-UNI-310206f0-24
0.489
NIM-UNI-310206f0-17
0.485
NIM-UNI-310206f0-37
0.478
NIM-UNI-310206f0-25
0.477
NIM-UNI-310206f0-5
0.465
NIM-UNI-310206f0-55
0.447
NIM-UNI-310206f0-26
0.444
NIM-UNI-310206f0-27
0.444
NIM-UNI-310206f0-21
0.442
NIM-UNI-310206f0-7
0.440
NIM-UNI-310206f0-29
0.438
NIM-UNI-310206f0-47
0.437
NIM-UNI-310206f0-1
0.435
NIM-UNI-310206f0-49
0.434
NIM-UNI-310206f0-9
0.433
NIM-UNI-310206f0-36
0.426
NIM-UNI-310206f0-48
0.423
NIM-UNI-310206f0-34
0.420
NIM-UNI-310206f0-62
0.420
NIM-UNI-310206f0-52
0.416
NIM-UNI-310206f0-44
0.414
NIM-UNI-310206f0-63
0.412
NIM-UNI-310206f0-60
0.411
NIM-UNI-310206f0-46
0.410
NIM-UNI-310206f0-4
0.409
NIM-UNI-310206f0-3
0.407
NIM-UNI-310206f0-42
0.406
NIM-UNI-310206f0-54
0.404
NIM-UNI-310206f0-51
0.400
NIM-UNI-310206f0-8
0.398
NIM-UNI-310206f0-40
0.394
NIM-UNI-310206f0-38
0.390
NIM-UNI-310206f0-33
0.387
NIM-UNI-310206f0-57
0.387
NIM-UNI-310206f0-50
0.386
VIK-SYN-9a3d118a-4
0.385
MAR-TRE-6a44bbf2-87
0.385
VIK-SYN-bf9c9ac8-7
0.385
NIM-UNI-310206f0-56
0.381
NIM-UNI-310206f0-2
0.380
NIM-UNI-310206f0-39
0.380
NIM-UNI-310206f0-61
0.377
NIM-UNI-310206f0-59
0.376
NIM-UNI-310206f0-64
0.374
NIM-UNI-310206f0-35
0.364
NIM-UNI-310206f0-10
0.363
NIM-UNI-310206f0-65
0.362
NIM-UNI-310206f0-66
0.359
NIM-UNI-310206f0-53
0.348
NIM-UNI-310206f0-31
0.345
SAD-SAT-5b1897b2-10
0.337
SWA-SYN-6423ea73-6
0.337
SWA-SYN-d2e6fa14-6
0.337
AAR-POS-0daf6b7e-18
0.333
SAD-SAT-5b1897b2-5
0.333
SAD-SAT-5b1897b2-3
0.333
MAT-POS-162a9720-4
0.329
NIM-UNI-310206f0-30
0.325
DRR-IMP-38dce17f-2
0.318
SAD-SAT-65574d3f-9
0.318
SAD-SAT-5b1897b2-4
0.314
MED-COV-4280ac29-37
0.312
MAT-POS-162a9720-2
0.311
NIL-NON-a189c016-1
0.311
MAK-UNK-7c9d1431-10
0.311
MAR-TRE-6a44bbf2-4
0.307
SAD-SAT-581007d4-1
0.307
LON-WEI-8f408cad-2
0.307
SAD-SAT-5b1897b2-8
0.307
AAR-POS-d2a4d1df-32
0.307
KAI-MCD-cb49037b-1
0.303
SAD-SAT-5b1897b2-1
0.302
MED-COV-4280ac29-33
0.301
SAD-SAT-581007d4-4
0.301
DRR-IMP-38dce17f-5
0.299
MAR-TRE-6a44bbf2-32
0.297
ABB-MCD-f8003a30-1
0.297
DRR-IMP-38dce17f-4
0.295
PEI-IMP-ca0b2813-3
0.295
MAR-TRE-6a44bbf2-41
0.293
JOH-UNI-27ac80fd-39
0.293
JIA-UNI-93b03cae-1
0.292
AAR-POS-d2a4d1df-24
0.292