Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(Nc3cccc4[nH]ccc34)cc2F)CC1 |
MW: | 404.12 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 51.37 |
cLogP: | 4.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-55
0.558
NIM-UNI-310206f0-57
0.537
NIM-UNI-310206f0-47
0.531
NIM-UNI-310206f0-39
0.510
NIM-UNI-310206f0-5
0.506
NIM-UNI-310206f0-61
0.500
NIM-UNI-310206f0-60
0.500
NIM-UNI-310206f0-50
0.495
NIM-UNI-310206f0-58
0.495
NIM-UNI-310206f0-56
0.490
NIM-UNI-310206f0-33
0.485
NIM-UNI-310206f0-64
0.481
NIM-UNI-310206f0-53
0.481
NIM-UNI-310206f0-66
0.477
NIM-UNI-310206f0-62
0.477
NIM-UNI-310206f0-30
0.473
NIM-UNI-310206f0-52
0.472
NIM-UNI-310206f0-59
0.468
NIM-UNI-310206f0-65
0.467
NIM-UNI-310206f0-8
0.452
NIM-UNI-310206f0-6
0.430
NIM-UNI-310206f0-1
0.424
NIM-UNI-310206f0-3
0.412
NIM-UNI-310206f0-7
0.412
NIM-UNI-310206f0-2
0.400
NIM-UNI-310206f0-4
0.398
NIM-UNI-310206f0-25
0.387
NIM-UNI-310206f0-31
0.385
NIM-UNI-310206f0-49
0.385
NIM-UNI-310206f0-13
0.381
NIM-UNI-310206f0-29
0.380
NIM-UNI-310206f0-9
0.376
NIM-UNI-310206f0-22
0.376
NIM-UNI-310206f0-23
0.375
NIM-UNI-310206f0-12
0.375
NIM-UNI-310206f0-20
0.371
NIM-UNI-310206f0-54
0.368
NIM-UNI-310206f0-14
0.363
NIM-UNI-310206f0-37
0.361
NIM-UNI-310206f0-26
0.358
NIM-UNI-310206f0-36
0.357
NIM-UNI-310206f0-11
0.356
NIM-UNI-310206f0-42
0.356
NIM-UNI-310206f0-35
0.355
NIM-UNI-310206f0-21
0.355
NIM-UNI-310206f0-32
0.354
NIM-UNI-310206f0-18
0.353
NIM-UNI-310206f0-38
0.353
NIM-UNI-310206f0-17
0.352
MAT-POS-162a9720-4
0.350
NIM-UNI-310206f0-24
0.350
NIM-UNI-310206f0-28
0.349
NIM-UNI-310206f0-63
0.347
NIM-UNI-310206f0-43
0.346
NIM-UNI-310206f0-46
0.346
NIM-UNI-310206f0-15
0.346
NIM-UNI-310206f0-40
0.346
NIM-UNI-310206f0-16
0.346
MAT-POS-162a9720-2
0.345
NIL-NON-a189c016-1
0.345
NIM-UNI-310206f0-45
0.343
NIM-UNI-310206f0-48
0.343
SAD-SAT-5b1897b2-10
0.341
NIM-UNI-310206f0-27
0.340
NIM-UNI-310206f0-44
0.337
NIM-UNI-310206f0-19
0.333
SAD-SAT-5b1897b2-4
0.333
NIM-UNI-310206f0-41
0.330
NIM-UNI-310206f0-51
0.324
MAR-TRE-6a44bbf2-3
0.323
SAD-SAT-65574d3f-9
0.321
GIA-UNK-b9c616ea-4
0.319
NIM-UNI-310206f0-34
0.318
GIA-UNK-7337c2f3-5
0.312
MAR-TRE-6a44bbf2-47
0.311
SWA-SYN-6423ea73-1
0.310
SWA-SYN-d2e6fa14-1
0.310
GIA-UNK-7337c2f3-4
0.308
AAR-POS-d2a4d1df-23
0.307
BEN-DND-03406596-10
0.307
DRR-IMP-38dce17f-2
0.307
LON-WEI-8f408cad-4
0.307
MAR-TRE-6a44bbf2-18
0.307
MAR-TRE-6a44bbf2-87
0.305
VIK-SYN-bf9c9ac8-7
0.305
VIK-SYN-9a3d118a-4
0.305
GIA-UNK-4de5abb1-4
0.302
AHN-SAT-de2502ba-15
0.300
MED-COV-4280ac29-18
0.298
SIM-SYN-f15aaa3a-1
0.298
BEN-DND-76ad4ac9-7
0.297
STE-KUL-2e0d2e88-1
0.297
NIR-THE-0d6461ce-3
0.296
STE-KUL-2e0d2e88-2
0.296
MAR-TRE-6a44bbf2-4
0.295
MED-COV-4280ac29-6
0.295
LON-WEI-8f408cad-2
0.295
AAR-POS-d2a4d1df-32
0.295
SAD-SAT-5b1897b2-8
0.295
MED-COV-4280ac29-23
0.295