Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)NC3CCCC3)c3ncccn3)cc2F)CC1 |
MW: | 478.17 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.67 |
cLogP: | 3.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-22
0.655
NIM-UNI-310206f0-23
0.630
NIM-UNI-310206f0-17
0.622
NIM-UNI-310206f0-63
0.619
NIM-UNI-310206f0-16
0.618
NIM-UNI-310206f0-32
0.614
NIM-UNI-310206f0-56
0.598
NIM-UNI-310206f0-24
0.598
NIM-UNI-310206f0-21
0.585
NIM-UNI-310206f0-43
0.573
NIM-UNI-310206f0-41
0.567
NIM-UNI-310206f0-12
0.535
NIM-UNI-310206f0-20
0.529
NIM-UNI-310206f0-13
0.523
NIM-UNI-310206f0-14
0.511
NIM-UNI-310206f0-49
0.510
NIM-UNI-310206f0-6
0.507
NIM-UNI-310206f0-11
0.505
NIM-UNI-310206f0-15
0.505
NIM-UNI-310206f0-28
0.490
NIM-UNI-310206f0-5
0.488
NIM-UNI-310206f0-19
0.469
NIM-UNI-310206f0-42
0.469
NIM-UNI-310206f0-36
0.462
NIM-UNI-310206f0-29
0.460
NIM-UNI-310206f0-38
0.453
NIM-UNI-310206f0-25
0.449
NIM-UNI-310206f0-26
0.449
NIM-UNI-310206f0-46
0.443
NIM-UNI-310206f0-54
0.436
NIM-UNI-310206f0-8
0.435
NIM-UNI-310206f0-37
0.435
NIM-UNI-310206f0-27
0.434
NIM-UNI-310206f0-44
0.433
NIM-UNI-310206f0-3
0.429
NIM-UNI-310206f0-7
0.429
NIM-UNI-310206f0-50
0.427
NIM-UNI-310206f0-40
0.426
NIM-UNI-310206f0-1
0.424
NIM-UNI-310206f0-51
0.418
NIM-UNI-310206f0-57
0.417
NIM-UNI-310206f0-48
0.412
NIM-UNI-310206f0-45
0.412
NIM-UNI-310206f0-34
0.410
NIM-UNI-310206f0-9
0.407
NIM-UNI-310206f0-35
0.406
NIM-UNI-310206f0-59
0.404
NIM-UNI-310206f0-60
0.402
NIM-UNI-310206f0-66
0.398
NIM-UNI-310206f0-4
0.398
VIK-SYN-bf9c9ac8-7
0.390
VIK-SYN-9a3d118a-4
0.390
MAR-TRE-6a44bbf2-87
0.390
NIM-UNI-310206f0-65
0.389
NIM-UNI-310206f0-53
0.387
NIM-UNI-310206f0-31
0.385
NIM-UNI-310206f0-64
0.377
NIM-UNI-310206f0-30
0.373
NIM-UNI-310206f0-39
0.370
NIM-UNI-310206f0-2
0.370
NIM-UNI-310206f0-47
0.361
NIM-UNI-310206f0-55
0.358
NIM-UNI-310206f0-61
0.357
NIM-UNI-310206f0-10
0.353
NIM-UNI-310206f0-62
0.350
NIM-UNI-310206f0-33
0.342
SAD-SAT-5b1897b2-10
0.341
NIM-UNI-310206f0-58
0.339
SAD-SAT-5b1897b2-3
0.337
NIM-UNI-310206f0-52
0.336
GIA-UNK-a79af1bc-1
0.318
MAT-POS-162a9720-4
0.317
DUN-NEW-f8ce3686-3
0.316
SWA-SYN-d2e6fa14-6
0.311
SWA-SYN-6423ea73-6
0.311
SAD-SAT-5b1897b2-8
0.310
DRR-IMP-38dce17f-2
0.307
SAD-SAT-5b1897b2-1
0.306
SAD-SAT-65574d3f-9
0.306
GIA-UNK-20b63697-6
0.304
DRR-IMP-38dce17f-5
0.302
SAD-SAT-5b1897b2-4
0.302
NIL-NON-a189c016-1
0.300
MAT-POS-162a9720-2
0.300
GIA-UNK-4de5abb1-3
0.298
KAT-UNK-b2a0d5b1-1
0.293
WAR-XCH-bdd24732-36
0.293
DAN-MCD-7eba3d41-1
0.292
DAN-MCD-881986d8-1
0.292
BEN-DND-03406596-10
0.292
LON-WEI-8f408cad-4
0.292
AAR-POS-d2a4d1df-23
0.292
MAR-TRE-6a44bbf2-18
0.292
LON-WEI-120e5cf5-19
0.292
LON-WEI-120e5cf5-5
0.289
DRR-IMP-dff87f5e-5
0.289
MAR-TRE-6a44bbf2-8
0.289
AAR-POS-d2a4d1df-34
0.289
GIA-UNK-4de5abb1-4
0.289
MAK-UNK-7c9d1431-10
0.286