Molecular Properties | |
SMILES: | COc1ccc(N(CC2CC2)c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)cc1 |
MW: | 449.17 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 36.02 |
cLogP: | 4.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-36
0.650
NIM-UNI-310206f0-44
0.586
NIM-UNI-310206f0-11
0.581
NIM-UNI-310206f0-37
0.560
NIM-UNI-310206f0-6
0.556
NIM-UNI-310206f0-29
0.556
NIM-UNI-310206f0-45
0.545
NIM-UNI-310206f0-25
0.542
NIM-UNI-310206f0-26
0.524
NIM-UNI-310206f0-51
0.516
NIM-UNI-310206f0-63
0.500
NIM-UNI-310206f0-46
0.495
NIM-UNI-310206f0-33
0.490
NIM-UNI-310206f0-34
0.489
NIM-UNI-310206f0-38
0.489
NIM-UNI-310206f0-8
0.476
NIM-UNI-310206f0-40
0.474
NIM-UNI-310206f0-42
0.474
NIM-UNI-310206f0-54
0.469
NIM-UNI-310206f0-27
0.469
NIM-UNI-310206f0-7
0.451
NIM-UNI-310206f0-35
0.451
AAR-POS-0daf6b7e-18
0.447
NIM-UNI-310206f0-32
0.446
NIM-UNI-310206f0-9
0.443
NIM-UNI-310206f0-31
0.442
NIM-UNI-310206f0-4
0.435
NIM-UNI-310206f0-20
0.435
NIM-UNI-310206f0-23
0.424
NIM-UNI-310206f0-14
0.423
NIM-UNI-310206f0-15
0.418
NIM-UNI-310206f0-13
0.415
NIM-UNI-310206f0-41
0.414
NIM-UNI-310206f0-18
0.412
NIM-UNI-310206f0-1
0.412
NIM-UNI-310206f0-12
0.409
NIM-UNI-310206f0-43
0.404
NIM-UNI-310206f0-19
0.402
NIM-UNI-310206f0-3
0.400
NIM-UNI-310206f0-24
0.394
NIM-UNI-310206f0-22
0.394
NIM-UNI-310206f0-60
0.393
NIM-UNI-310206f0-28
0.392
NIM-UNI-310206f0-16
0.388
NIM-UNI-310206f0-57
0.381
NIM-UNI-310206f0-58
0.378
NIM-UNI-310206f0-5
0.378
NIM-UNI-310206f0-39
0.374
NIM-UNI-310206f0-55
0.374
NIM-UNI-310206f0-2
0.374
NIM-UNI-310206f0-21
0.370
NIM-UNI-310206f0-64
0.368
NIM-UNI-310206f0-17
0.368
NIM-UNI-310206f0-47
0.364
NIM-UNI-310206f0-49
0.364
NIM-UNI-310206f0-56
0.363
SAD-SAT-5b1897b2-10
0.362
NIM-UNI-310206f0-52
0.362
SAD-SAT-5b1897b2-5
0.356
MAK-UNK-7c9d1431-17
0.353
MAR-TRE-6a44bbf2-77
0.353
ANT-STE-dbb91f63-1
0.351
GIA-UNK-4de5abb1-5
0.348
NIM-UNI-310206f0-61
0.348
NIM-UNI-310206f0-59
0.347
NIM-UNI-310206f0-65
0.345
NIM-UNI-310206f0-10
0.343
NIM-UNI-310206f0-53
0.342
NIM-UNI-310206f0-62
0.342
MAT-POS-162a9720-4
0.338
NIM-UNI-310206f0-50
0.333
NIM-UNI-310206f0-30
0.331
NIM-UNI-310206f0-66
0.331
MAR-TRE-6a44bbf2-45
0.326
MAK-UNK-7c9d1431-30
0.326
SAD-SAT-65574d3f-9
0.325
SAD-SAT-5b1897b2-4
0.321
NIL-NON-a189c016-1
0.318
MAT-POS-162a9720-2
0.318
PEI-IMP-668afc53-1
0.316
PEI-IMP-ca0b2813-3
0.315
MAR-TRE-6a44bbf2-41
0.315
DAR-DIA-fb20be43-7
0.309
ANT-STE-dbb91f63-2
0.307
GIA-UNK-a79af1bc-1
0.307
NIM-UNI-05f93fcc-15
0.306
DUN-NEW-f8ce3686-3
0.305
AHN-SAT-de2502ba-15
0.303
AHN-SAT-de2502ba-3
0.300
PEI-IMP-668afc53-2
0.300
DRR-IMP-38dce17f-2
0.295
MAK-UNK-176ca439-4
0.295
MAK-UNK-3c359d2a-1
0.295
SAD-SAT-5b1897b2-1
0.294
SAD-SAT-5b1897b2-3
0.294
MAK-UNK-7c9d1431-19
0.293
GIA-UNK-4de5abb1-2
0.293
MAR-TRE-6a44bbf2-87
0.293
VIK-SYN-bf9c9ac8-7
0.293
VIK-SYN-9a3d118a-4
0.293