Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)c3cccnc3)c3ncccn3)cc2F)CC1 |
MW: | 472.12 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 82.53 |
cLogP: | 3.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-41
0.644
NIM-UNI-310206f0-23
0.634
NIM-UNI-310206f0-46
0.632
NIM-UNI-310206f0-65
0.606
NIM-UNI-310206f0-22
0.602
NIM-UNI-310206f0-24
0.602
NIM-UNI-310206f0-32
0.600
NIM-UNI-310206f0-28
0.576
NIM-UNI-310206f0-18
0.573
NIM-UNI-310206f0-20
0.570
NIM-UNI-310206f0-17
0.558
NIM-UNI-310206f0-21
0.541
NIM-UNI-310206f0-16
0.537
NIM-UNI-310206f0-49
0.530
NIM-UNI-310206f0-11
0.527
NIM-UNI-310206f0-15
0.527
NIM-UNI-310206f0-12
0.523
NIM-UNI-310206f0-27
0.516
NIM-UNI-310206f0-13
0.511
NIM-UNI-310206f0-14
0.500
NIM-UNI-310206f0-6
0.494
NIM-UNI-310206f0-5
0.477
NIM-UNI-310206f0-36
0.467
NIM-UNI-310206f0-19
0.460
NIM-UNI-310206f0-1
0.447
NIM-UNI-310206f0-42
0.444
NIM-UNI-310206f0-38
0.443
NIM-UNI-310206f0-62
0.441
NIM-UNI-310206f0-44
0.439
NIM-UNI-310206f0-3
0.435
NIM-UNI-310206f0-29
0.433
NIM-UNI-310206f0-26
0.424
NIM-UNI-310206f0-25
0.424
NIM-UNI-310206f0-50
0.420
NIM-UNI-310206f0-37
0.411
NIM-UNI-310206f0-51
0.410
NIM-UNI-310206f0-57
0.410
NIM-UNI-310206f0-63
0.408
STE-KUL-2e0d2e88-3
0.404
NIM-UNI-310206f0-4
0.404
NIM-UNI-310206f0-45
0.404
NIM-UNI-310206f0-48
0.404
NIM-UNI-310206f0-7
0.402
NIM-UNI-310206f0-39
0.402
NIM-UNI-310206f0-56
0.402
NIM-UNI-310206f0-54
0.400
NIM-UNI-310206f0-64
0.395
NIM-UNI-310206f0-60
0.394
NIM-UNI-310206f0-53
0.393
NIM-UNI-310206f0-31
0.391
NIM-UNI-310206f0-34
0.388
DRR-IMP-38dce17f-4
0.386
NIM-UNI-310206f0-59
0.385
VIK-SYN-9a3d118a-4
0.380
MAR-TRE-6a44bbf2-87
0.380
VIK-SYN-bf9c9ac8-7
0.380
NIM-UNI-310206f0-47
0.380
NIM-UNI-310206f0-66
0.379
NIM-UNI-310206f0-8
0.378
NIM-UNI-310206f0-40
0.377
NIM-UNI-310206f0-55
0.376
NIM-UNI-310206f0-61
0.374
NIM-UNI-310206f0-35
0.373
NIM-UNI-310206f0-58
0.368
NIM-UNI-310206f0-9
0.368
NIM-UNI-310206f0-52
0.364
NIM-UNI-310206f0-2
0.362
SAD-SAT-5b1897b2-1
0.361
NIM-UNI-310206f0-30
0.355
NIM-UNI-310206f0-33
0.348
NIM-UNI-310206f0-10
0.346
SAD-SAT-5b1897b2-3
0.345
PEI-IMP-ca0b2813-1
0.341
SAD-SAT-5b1897b2-10
0.333
SAD-SAT-5b1897b2-4
0.326
MAT-POS-162a9720-4
0.325
LON-WEI-120e5cf5-11
0.323
MAK-UNK-af83ef51-1
0.323
WAR-XCH-79d12f6e-8
0.319
SWA-SYN-6423ea73-6
0.319
SWA-SYN-d2e6fa14-6
0.319
SAD-SAT-5b1897b2-8
0.318
SAD-SAT-65574d3f-9
0.314
DRR-IMP-38dce17f-5
0.310
NIM-UNI-05f93fcc-6
0.310
MAT-POS-162a9720-2
0.308
NIL-NON-a189c016-1
0.308
JUL-TUD-06b2044f-126
0.307
SAD-SAT-29425be4-27
0.305
MAK-UNK-10dfa458-35
0.302
MAK-UNK-849bee6c-5
0.302
DRR-IMP-38dce17f-2
0.300
ALP-POS-c0c213c9-10
0.300
JOO-PER-58e158bd-1
0.300
PEI-IMP-ca0b2813-4
0.297
MAK-UNK-8fdbca50-28
0.295
BEN-DND-76ad4ac9-4
0.293
AHN-SAT-de2502ba-15
0.293
MAK-UNK-7c9d1431-10
0.293
GIA-UNK-7337c2f3-5
0.292