Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(CC3CC3)C(=O)NC3CCCC3)cc2F)CC1 |
MW: | 454.19 |
Fraction sp3: | 0.64 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 55.89 |
cLogP: | 3.72 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-42
0.675
NIM-UNI-310206f0-40
0.632
NIM-UNI-310206f0-29
0.623
NIM-UNI-310206f0-18
0.619
NIM-UNI-310206f0-35
0.598
NIM-UNI-310206f0-54
0.589
NIM-UNI-310206f0-37
0.585
NIM-UNI-310206f0-38
0.545
NIM-UNI-310206f0-51
0.539
NIM-UNI-310206f0-46
0.533
NIM-UNI-310206f0-26
0.530
NIM-UNI-310206f0-25
0.530
NIM-UNI-310206f0-6
0.521
NIM-UNI-310206f0-56
0.515
NIM-UNI-310206f0-36
0.506
NIM-UNI-310206f0-48
0.500
NIM-UNI-310206f0-44
0.489
NIM-UNI-310206f0-45
0.484
NIM-UNI-310206f0-8
0.481
NIM-UNI-310206f0-31
0.475
NIM-UNI-310206f0-34
0.463
NIM-UNI-310206f0-27
0.458
NIM-UNI-310206f0-7
0.439
NIM-UNI-310206f0-9
0.432
NIM-UNI-310206f0-23
0.429
NIM-UNI-310206f0-12
0.429
NIM-UNI-310206f0-22
0.427
NIM-UNI-310206f0-20
0.424
NIM-UNI-310206f0-3
0.422
NIM-UNI-310206f0-11
0.421
NIM-UNI-310206f0-13
0.419
NIM-UNI-310206f0-32
0.419
NIM-UNI-310206f0-1
0.417
NIM-UNI-310206f0-5
0.414
NIM-UNI-310206f0-14
0.412
NIM-UNI-310206f0-28
0.410
NIM-UNI-310206f0-43
0.408
NIM-UNI-310206f0-15
0.408
NIM-UNI-310206f0-4
0.407
NIM-UNI-310206f0-16
0.406
NIM-UNI-310206f0-17
0.398
NIM-UNI-310206f0-24
0.398
NIM-UNI-310206f0-41
0.390
NIM-UNI-310206f0-21
0.387
NIM-UNI-310206f0-19
0.379
NIM-UNI-310206f0-2
0.378
NIM-UNI-310206f0-57
0.371
NIM-UNI-310206f0-50
0.360
NIM-UNI-310206f0-60
0.358
NIM-UNI-310206f0-47
0.355
NIM-UNI-310206f0-49
0.355
NIM-UNI-310206f0-39
0.352
NIM-UNI-310206f0-55
0.352
NIM-UNI-310206f0-33
0.348
NIM-UNI-310206f0-10
0.347
NIM-UNI-310206f0-66
0.345
NIM-UNI-310206f0-61
0.339
NIM-UNI-310206f0-59
0.339
NIM-UNI-310206f0-65
0.336
NIM-UNI-310206f0-30
0.333
NIM-UNI-310206f0-58
0.333
NIM-UNI-310206f0-53
0.333
NIM-UNI-310206f0-62
0.333
SAD-SAT-5b1897b2-10
0.333
MAT-POS-162a9720-4
0.325
NIM-UNI-310206f0-64
0.325
NIM-UNI-310206f0-52
0.319
MAR-TRE-6a44bbf2-87
0.312
VIK-SYN-9a3d118a-4
0.312
VIK-SYN-bf9c9ac8-7
0.312
DUN-NEW-f8ce3686-3
0.309
AAR-POS-0daf6b7e-18
0.298
SAD-SAT-65574d3f-9
0.298
GIA-UNK-20b63697-6
0.297
GIA-UNK-a79af1bc-1
0.295
SAD-SAT-5b1897b2-4
0.294
NIL-NON-a189c016-1
0.292
MAT-POS-162a9720-2
0.292
GIA-UNK-4de5abb1-3
0.290
MAR-TRE-6a44bbf2-41
0.289
SAD-SAT-581007d4-1
0.287
SAD-SAT-5b1897b2-8
0.287
AAR-POS-0daf6b7e-5
0.287
WAR-XCH-bdd24732-36
0.286
SAD-SAT-5b1897b2-5
0.286
DRR-IMP-38dce17f-2
0.284
SAD-SAT-5b1897b2-1
0.282
SAD-SAT-5b1897b2-3
0.282
MAT-POS-162a9720-5
0.279
AHN-SAT-de2502ba-15
0.278
MAK-UNK-7c9d1431-10
0.278
NIR-THE-0d6461ce-3
0.278
DRR-IMP-11d47bff-1
0.277
MAR-TRE-6a44bbf2-47
0.275
AHN-SAT-de2502ba-3
0.275
PAU-UNI-8cdd41c7-1
0.274
DAN-MCD-881986d8-1
0.274
JIA-UNI-93b03cae-1
0.273
NIR-THE-0d6461ce-1
0.272
NIR-THE-0d6461ce-9
0.272