Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(CC3CC3)C(=O)Nc3ccncc3)cc2F)CC1 |
MW: | 463.16 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 68.78 |
cLogP: | 3.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-35
0.689
NIM-UNI-310206f0-63
0.675
NIM-UNI-310206f0-40
0.652
NIM-UNI-310206f0-22
0.632
NIM-UNI-310206f0-54
0.591
NIM-UNI-310206f0-29
0.585
NIM-UNI-310206f0-46
0.571
NIM-UNI-310206f0-37
0.552
NIM-UNI-310206f0-51
0.543
NIM-UNI-310206f0-38
0.533
NIM-UNI-310206f0-50
0.524
NIM-UNI-310206f0-1
0.512
NIM-UNI-310206f0-36
0.511
NIM-UNI-310206f0-44
0.511
NIM-UNI-310206f0-27
0.510
NIM-UNI-310206f0-25
0.500
NIM-UNI-310206f0-26
0.500
NIM-UNI-310206f0-21
0.490
NIM-UNI-310206f0-6
0.487
NIM-UNI-310206f0-48
0.474
NIM-UNI-310206f0-8
0.471
NIM-UNI-310206f0-34
0.469
NIM-UNI-310206f0-18
0.469
NIM-UNI-310206f0-31
0.467
NIM-UNI-310206f0-45
0.458
NIM-UNI-310206f0-20
0.447
NIM-UNI-310206f0-17
0.447
NIM-UNI-310206f0-28
0.446
NIM-UNI-310206f0-43
0.444
NIM-UNI-310206f0-16
0.441
NIM-UNI-310206f0-5
0.438
NIM-UNI-310206f0-12
0.436
NIM-UNI-310206f0-23
0.436
NIM-UNI-310206f0-11
0.429
NIM-UNI-310206f0-13
0.427
NIM-UNI-310206f0-32
0.427
NIM-UNI-310206f0-9
0.424
NIM-UNI-310206f0-24
0.420
NIM-UNI-310206f0-15
0.416
NIM-UNI-310206f0-3
0.414
NIM-UNI-310206f0-7
0.414
NIM-UNI-310206f0-41
0.412
NIM-UNI-310206f0-14
0.406
NIM-UNI-310206f0-19
0.400
NIM-UNI-310206f0-56
0.398
NIM-UNI-310206f0-30
0.387
NIM-UNI-310206f0-4
0.385
NIM-UNI-310206f0-62
0.376
NIM-UNI-310206f0-49
0.375
NIM-UNI-310206f0-39
0.373
NIM-UNI-310206f0-59
0.370
NIM-UNI-310206f0-65
0.368
NIM-UNI-310206f0-66
0.364
NIM-UNI-310206f0-2
0.358
NIM-UNI-310206f0-10
0.356
NIM-UNI-310206f0-57
0.355
NIM-UNI-310206f0-47
0.351
NIM-UNI-310206f0-55
0.348
NIM-UNI-310206f0-61
0.347
NIM-UNI-310206f0-64
0.345
NIM-UNI-310206f0-60
0.342
NIM-UNI-310206f0-52
0.339
DRR-IMP-38dce17f-6
0.333
NIM-UNI-310206f0-33
0.333
NIM-UNI-310206f0-58
0.331
NIM-UNI-310206f0-53
0.331
SAD-SAT-5b1897b2-10
0.329
VIK-SYN-bf9c9ac8-7
0.325
MAR-TRE-6a44bbf2-87
0.325
VIK-SYN-9a3d118a-4
0.325
MAT-POS-162a9720-4
0.321
PEI-IMP-ca0b2813-2
0.318
MAR-TRE-6a44bbf2-3
0.312
SAD-SAT-5b1897b2-5
0.312
SAD-SAT-5b1897b2-1
0.310
SAD-SAT-5b1897b2-3
0.310
LON-WEI-120e5cf5-19
0.309
DRR-IMP-38dce17f-4
0.303
MAR-TRE-6a44bbf2-47
0.301
SAD-SAT-5b1897b2-8
0.300
SAD-SAT-65574d3f-9
0.295
DUN-NEW-f8ce3686-3
0.293
LON-WEI-120e5cf5-2
0.292
SAD-SAT-5b1897b2-4
0.292
DRR-IMP-38dce17f-5
0.292
LON-WEI-120e5cf5-11
0.292
NIL-NON-a189c016-1
0.290
MAT-POS-162a9720-2
0.290
BEN-BAS-26f6b627-1
0.288
THO-SYG-f9b2970d-4
0.288
LON-WEI-120e5cf5-13
0.286
LON-WEI-120e5cf5-21
0.283
BEN-DND-6de5dfa0-16
0.283
NIR-THE-b7e8e081-2
0.283
DRR-IMP-38dce17f-2
0.283
JOR-UNI-61e7b1d5-20
0.282
AHN-SAT-de2502ba-7
0.281
AAR-POS-0daf6b7e-18
0.281
MAC-MCD-76766525-1
0.280
MAR-TRE-6a44bbf2-12
0.280