Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(CC3CC3)C(=O)c3cccnc3)cc2F)CC1 |
MW: | 448.15 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 56.75 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-43
0.632
NIM-UNI-310206f0-51
0.621
NIM-UNI-310206f0-29
0.593
NIM-UNI-310206f0-27
0.582
NIM-UNI-310206f0-38
0.573
NIM-UNI-310206f0-42
0.571
NIM-UNI-310206f0-37
0.558
NIM-UNI-310206f0-54
0.547
NIM-UNI-310206f0-36
0.534
NIM-UNI-310206f0-63
0.533
NIM-UNI-310206f0-65
0.529
NIM-UNI-310206f0-31
0.515
NIM-UNI-310206f0-25
0.506
NIM-UNI-310206f0-26
0.506
NIM-UNI-310206f0-40
0.505
NIM-UNI-310206f0-44
0.500
NIM-UNI-310206f0-35
0.495
NIM-UNI-310206f0-28
0.495
NIM-UNI-310206f0-48
0.495
NIM-UNI-310206f0-6
0.494
NIM-UNI-310206f0-20
0.484
NIM-UNI-310206f0-1
0.464
NIM-UNI-310206f0-45
0.463
NIM-UNI-310206f0-34
0.459
NIM-UNI-310206f0-15
0.449
NIM-UNI-310206f0-11
0.448
NIM-UNI-310206f0-41
0.444
NIM-UNI-310206f0-18
0.443
NIM-UNI-310206f0-8
0.442
NIM-UNI-310206f0-62
0.441
NIM-UNI-310206f0-23
0.441
NIM-UNI-310206f0-12
0.441
NIM-UNI-310206f0-22
0.439
NIM-UNI-310206f0-17
0.437
NIM-UNI-310206f0-3
0.435
NIM-UNI-310206f0-13
0.432
NIM-UNI-310206f0-32
0.432
NIM-UNI-310206f0-5
0.427
NIM-UNI-310206f0-24
0.424
NIM-UNI-310206f0-39
0.415
NIM-UNI-310206f0-14
0.410
STE-KUL-2e0d2e88-3
0.404
NIM-UNI-310206f0-4
0.404
NIM-UNI-310206f0-16
0.404
NIM-UNI-310206f0-7
0.402
NIM-UNI-310206f0-21
0.398
NIM-UNI-310206f0-9
0.398
NIM-UNI-310206f0-49
0.391
NIM-UNI-310206f0-19
0.390
DRR-IMP-38dce17f-4
0.386
NIM-UNI-310206f0-47
0.380
NIM-UNI-310206f0-55
0.376
NIM-UNI-310206f0-64
0.371
NIM-UNI-310206f0-50
0.371
NIM-UNI-310206f0-57
0.370
NIM-UNI-310206f0-56
0.365
NIM-UNI-310206f0-52
0.364
NIM-UNI-310206f0-61
0.362
NIM-UNI-310206f0-2
0.362
NIM-UNI-310206f0-33
0.360
NIM-UNI-310206f0-60
0.357
NIM-UNI-310206f0-58
0.357
NIM-UNI-310206f0-66
0.356
NIM-UNI-310206f0-59
0.350
SAD-SAT-5b1897b2-10
0.349
NIM-UNI-310206f0-10
0.346
SAD-SAT-65574d3f-9
0.345
SAD-SAT-5b1897b2-1
0.345
NIM-UNI-310206f0-53
0.345
MAT-POS-162a9720-4
0.341
SAD-SAT-5b1897b2-4
0.341
PEI-IMP-ca0b2813-1
0.341
THO-SYG-f9b2970d-4
0.330
VIK-SYN-9a3d118a-4
0.329
VIK-SYN-bf9c9ac8-7
0.329
MAR-TRE-6a44bbf2-87
0.329
LON-WEI-120e5cf5-11
0.323
NIM-UNI-310206f0-30
0.323
MAT-POS-162a9720-2
0.322
BEN-DND-76ad4ac9-4
0.322
NIL-NON-a189c016-1
0.322
WAR-XCH-79d12f6e-8
0.319
THO-SYG-f9b2970d-8
0.315
DRR-IMP-38dce17f-2
0.315
SAD-SAT-5b1897b2-3
0.314
MAK-UNK-8fdbca50-30
0.310
AHN-SAT-de2502ba-15
0.308
JUL-TUD-06b2044f-126
0.307
GIA-UNK-7337c2f3-5
0.305
SAD-SAT-29425be4-27
0.305
FOC-CAS-e3a94da8-1
0.305
MAK-UNK-8fdbca50-28
0.305
BEN-BAS-26f6b627-1
0.304
MIC-SGC-657978c3-4
0.303
SAD-SAT-135344c3-8
0.302
JOO-PER-58e158bd-1
0.300
WAR-XCH-79d12f6e-5
0.297
NIM-UNI-05f93fcc-6
0.297
PEI-IMP-ca0b2813-4
0.297
LON-WEI-120e5cf5-5
0.297