Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)NCc3cccc(F)c3)c3ncccn3)cc2F)CC1 |
MW: | 518.14 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 81.67 |
cLogP: | 3.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
MED-COV-4280ac29-15
NIM-UNI-310206f0-22
0.652
NIM-UNI-310206f0-54
0.628
NIM-UNI-310206f0-66
0.627
NIM-UNI-310206f0-18
0.622
NIM-UNI-310206f0-21
0.602
NIM-UNI-310206f0-24
0.581
NIM-UNI-310206f0-23
0.573
NIM-UNI-310206f0-16
0.567
NIM-UNI-310206f0-32
0.560
NIM-UNI-310206f0-43
0.558
NIM-UNI-310206f0-41
0.536
NIM-UNI-310206f0-49
0.514
NIM-UNI-310206f0-12
0.505
NIM-UNI-310206f0-14
0.485
NIM-UNI-310206f0-20
0.484
NIM-UNI-310206f0-11
0.480
NIM-UNI-310206f0-13
0.479
NIM-UNI-310206f0-15
0.465
NIM-UNI-310206f0-6
0.458
NIM-UNI-310206f0-28
0.452
NIM-UNI-310206f0-50
0.447
NIM-UNI-310206f0-42
0.447
NIM-UNI-310206f0-5
0.446
NIM-UNI-310206f0-46
0.437
NIM-UNI-310206f0-19
0.434
NIM-UNI-310206f0-1
0.418
NIM-UNI-310206f0-56
0.417
DRR-IMP-38dce17f-2
0.414
NIM-UNI-310206f0-38
0.404
NIM-UNI-310206f0-35
0.402
NIM-UNI-310206f0-59
0.400
NIM-UNI-310206f0-51
0.400
NIM-UNI-310206f0-57
0.400
NIM-UNI-310206f0-65
0.398
NIM-UNI-310206f0-63
0.398
NIM-UNI-310206f0-36
0.396
NIM-UNI-310206f0-30
0.393
NIM-UNI-310206f0-29
0.392
NIM-UNI-310206f0-27
0.389
NIM-UNI-310206f0-44
0.387
NIM-UNI-310206f0-64
0.387
NIM-UNI-310206f0-60
0.386
NIM-UNI-310206f0-53
0.385
NIM-UNI-310206f0-26
0.384
NIM-UNI-310206f0-25
0.384
NIM-UNI-310206f0-40
0.382
NIM-UNI-310206f0-45
0.381
NIM-UNI-310206f0-4
0.379
NIM-UNI-310206f0-7
0.376
NIM-UNI-310206f0-3
0.376
NIM-UNI-310206f0-37
0.373
NIM-UNI-310206f0-8
0.368
NIM-UNI-310206f0-39
0.368
NIM-UNI-310206f0-55
0.368
NIM-UNI-310206f0-48
0.368
NIM-UNI-310206f0-58
0.361
NIM-UNI-310206f0-47
0.360
NIM-UNI-310206f0-31
0.359
NIM-UNI-310206f0-61
0.355
NIM-UNI-310206f0-34
0.355
VIK-SYN-9a3d118a-4
0.353
MAR-TRE-6a44bbf2-87
0.353
VIK-SYN-bf9c9ac8-7
0.353
NIM-UNI-310206f0-10
0.352
NIM-UNI-310206f0-62
0.350
NIM-UNI-310206f0-9
0.347
NIM-UNI-310206f0-33
0.342
NIM-UNI-310206f0-2
0.340
MAR-TRE-6a44bbf2-3
0.337
NIM-UNI-310206f0-52
0.336
GIA-UNK-7337c2f3-5
0.327
SAD-SAT-5b1897b2-10
0.326
MAR-TRE-6a44bbf2-18
0.323
AAR-POS-d2a4d1df-23
0.323
LON-WEI-8f408cad-4
0.323
BEN-DND-03406596-10
0.323
SAD-SAT-5b1897b2-3
0.322
MAT-POS-162a9720-4
0.318
GIA-UNK-4de5abb1-4
0.317
BEN-DND-76ad4ac9-3
0.313
TAM-UNI-d1c3dd9f-12
0.311
MAR-TRE-04c86cea-72
0.310
MAR-TRE-4b834d9a-2
0.309
MAK-UNK-849bee6c-5
0.309
SAD-SAT-65574d3f-9
0.308
MAK-UNK-942dcb71-3
0.307
MAR-TRE-4b834d9a-25
0.306
MAR-TRE-f6f5f473-45
0.305
MAK-UNK-849bee6c-7
0.305
MAR-TRE-4b834d9a-69
0.304
SAD-SAT-5b1897b2-4
0.304
SAD-SAT-f25ee457-1
0.304
MAR-TRE-04c86cea-60
0.304
MAT-POS-162a9720-2
0.302
NIL-NON-a189c016-1
0.302
BEN-DND-76ad4ac9-4
0.302
AAR-POS-d2a4d1df-35
0.301
MED-COV-4280ac29-15
0.301
JOH-UNI-0e1753c1-3
0.301
DRR-IMP-38dce17f-4
0.301