Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)Nc3ccncc3)c3cccc4[nH]ccc34)cc2F)CC1 |
MW: | 524.15 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.57 |
cLogP: | 5.1 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-30
0.757
NIM-UNI-310206f0-59
0.721
NIM-UNI-310206f0-56
0.689
NIM-UNI-310206f0-66
0.686
NIM-UNI-310206f0-57
0.667
NIM-UNI-310206f0-64
0.645
NIM-UNI-310206f0-65
0.645
NIM-UNI-310206f0-60
0.641
NIM-UNI-310206f0-22
0.629
NIM-UNI-310206f0-53
0.617
NIM-UNI-310206f0-62
0.595
NIM-UNI-310206f0-39
0.590
NIM-UNI-310206f0-47
0.566
NIM-UNI-310206f0-55
0.561
NIM-UNI-310206f0-61
0.549
NIM-UNI-310206f0-58
0.545
NIM-UNI-310206f0-33
0.536
NIM-UNI-310206f0-52
0.534
NIM-UNI-310206f0-42
0.524
NIM-UNI-310206f0-21
0.500
NIM-UNI-310206f0-10
0.495
NIM-UNI-310206f0-16
0.455
NIM-UNI-310206f0-49
0.453
NIM-UNI-310206f0-17
0.447
NIM-UNI-310206f0-1
0.429
NIM-UNI-310206f0-18
0.427
NIM-UNI-310206f0-23
0.425
NIM-UNI-310206f0-43
0.420
NIM-UNI-310206f0-32
0.417
NIM-UNI-310206f0-24
0.411
NIM-UNI-310206f0-28
0.409
NIM-UNI-310206f0-20
0.407
NIM-UNI-310206f0-6
0.404
NIM-UNI-310206f0-41
0.404
NIM-UNI-310206f0-35
0.400
NIM-UNI-310206f0-27
0.388
NIM-UNI-310206f0-14
0.386
NIM-UNI-310206f0-12
0.385
NIM-UNI-310206f0-5
0.385
NIM-UNI-310206f0-31
0.382
NIM-UNI-310206f0-40
0.381
NIM-UNI-310206f0-11
0.381
NIM-UNI-310206f0-13
0.378
NIM-UNI-310206f0-54
0.378
NIM-UNI-310206f0-44
0.374
NIM-UNI-310206f0-46
0.371
NIM-UNI-310206f0-15
0.371
NIM-UNI-310206f0-19
0.370
NIM-UNI-310206f0-36
0.369
NIM-UNI-310206f0-3
0.363
NIM-UNI-310206f0-63
0.360
NIM-UNI-310206f0-25
0.358
NIM-UNI-310206f0-29
0.352
NIM-UNI-310206f0-26
0.345
NIM-UNI-310206f0-45
0.345
NIM-UNI-310206f0-34
0.345
NIM-UNI-310206f0-8
0.343
NIM-UNI-310206f0-38
0.342
NIM-UNI-310206f0-4
0.340
NIM-UNI-310206f0-51
0.339
NIM-UNI-310206f0-7
0.337
NIM-UNI-310206f0-9
0.336
NIM-UNI-310206f0-37
0.336
NIM-UNI-310206f0-48
0.333
MAT-POS-162a9720-4
0.309
NIM-UNI-310206f0-2
0.306
GIA-UNK-b9c616ea-5
0.292
MAR-TRE-6a44bbf2-3
0.291
LON-WEI-120e5cf5-2
0.286
MAR-TRE-6a44bbf2-87
0.286
VIK-SYN-9a3d118a-4
0.286
VIK-SYN-bf9c9ac8-7
0.286
MAT-POS-162a9720-2
0.283
NIL-NON-a189c016-1
0.283
MAR-TRE-6a44bbf2-47
0.280
DRR-IMP-38dce17f-6
0.280
SAD-SAT-5b1897b2-8
0.279
SAD-SAT-5b1897b2-10
0.277
LON-WEI-120e5cf5-19
0.277
SAD-SAT-65574d3f-9
0.275
SAD-SAT-5b1897b2-3
0.275
SAD-SAT-5b1897b2-4
0.272
DRR-IMP-38dce17f-5
0.272
MAK-UNK-176ca439-7
0.271
TAM-UNI-c140e31a-2
0.270
JOH-UNI-0304dea8-1
0.270
DRR-IMP-38dce17f-4
0.269
MED-COV-4280ac29-1
0.269
PEI-IMP-ca0b2813-2
0.269
MAK-UNK-10572812-11
0.268
MAK-UNK-69e28b36-1
0.266
MAK-UNK-176ca439-6
0.266
SAD-SAT-5b1897b2-5
0.266
DRR-IMP-38dce17f-2
0.264
MAK-UNK-de8f6d00-2
0.263
NAU-LAT-356bd3c2-8
0.263
SAD-SAT-5b1897b2-1
0.262
MAR-TRE-7f7bb9f0-58
0.260
LON-WEI-120e5cf5-9
0.260
ASH-SAT-43770c7d-7
0.260