Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)NCc3cccc(F)c3)c3cccc4[nH]ccc34)cc2F)CC1 |
MW: | 555.16 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.68 |
cLogP: | 5.52 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
MED-COV-4280ac29-15
NIM-UNI-310206f0-50
0.686
NIM-UNI-310206f0-56
0.667
NIM-UNI-310206f0-57
0.660
NIM-UNI-310206f0-30
0.655
NIM-UNI-310206f0-60
0.650
NIM-UNI-310206f0-59
0.636
NIM-UNI-310206f0-17
0.627
NIM-UNI-310206f0-53
0.611
NIM-UNI-310206f0-64
0.609
NIM-UNI-310206f0-65
0.609
NIM-UNI-310206f0-54
0.571
NIM-UNI-310206f0-55
0.570
NIM-UNI-310206f0-47
0.561
NIM-UNI-310206f0-39
0.556
NIM-UNI-310206f0-58
0.554
NIM-UNI-310206f0-62
0.534
NIM-UNI-310206f0-33
0.531
NIM-UNI-310206f0-61
0.517
NIM-UNI-310206f0-52
0.504
NIM-UNI-310206f0-10
0.477
NIM-UNI-310206f0-49
0.437
NIM-UNI-310206f0-22
0.420
NIM-UNI-310206f0-31
0.402
NIM-UNI-310206f0-6
0.400
NIM-UNI-310206f0-18
0.398
NIM-UNI-310206f0-21
0.397
NIM-UNI-310206f0-32
0.387
NIM-UNI-310206f0-24
0.383
NIM-UNI-310206f0-23
0.382
NIM-UNI-310206f0-43
0.379
NIM-UNI-310206f0-16
0.378
NIM-UNI-310206f0-41
0.364
NIM-UNI-310206f0-42
0.364
DRR-IMP-38dce17f-2
0.364
NIM-UNI-310206f0-35
0.363
NIM-UNI-310206f0-14
0.359
NIM-UNI-310206f0-12
0.357
NIM-UNI-310206f0-46
0.356
NIM-UNI-310206f0-1
0.356
NIM-UNI-310206f0-25
0.355
NIM-UNI-310206f0-20
0.354
NIM-UNI-310206f0-45
0.353
NIM-UNI-310206f0-38
0.350
NIM-UNI-310206f0-29
0.349
NIM-UNI-310206f0-28
0.347
NIM-UNI-310206f0-63
0.345
NIM-UNI-310206f0-40
0.344
NIM-UNI-310206f0-26
0.342
NIM-UNI-310206f0-36
0.342
NIM-UNI-310206f0-11
0.342
NIM-UNI-310206f0-13
0.339
NIM-UNI-310206f0-27
0.339
NIM-UNI-310206f0-4
0.336
NIM-UNI-310206f0-44
0.336
NIM-UNI-310206f0-51
0.336
NIM-UNI-310206f0-3
0.333
NIM-UNI-310206f0-7
0.333
NIM-UNI-310206f0-15
0.333
NIM-UNI-310206f0-37
0.333
NIM-UNI-310206f0-48
0.331
NIM-UNI-310206f0-5
0.330
NIM-UNI-310206f0-8
0.327
NIM-UNI-310206f0-19
0.323
NIM-UNI-310206f0-34
0.320
MAT-POS-162a9720-4
0.320
NIM-UNI-310206f0-9
0.310
MAK-UNK-176ca439-7
0.308
NIM-UNI-310206f0-2
0.304
TAM-UNI-d1c3dd9f-12
0.302
MAR-TRE-6a44bbf2-3
0.300
BEN-DND-03406596-10
0.298
LON-WEI-8f408cad-4
0.298
AAR-POS-d2a4d1df-23
0.298
MAR-TRE-6a44bbf2-18
0.298
BEN-DND-76ad4ac9-3
0.291
GIA-UNK-7337c2f3-5
0.291
MAK-UNK-942dcb71-3
0.286
GIA-UNK-4de5abb1-4
0.283
MAK-UNK-176ca439-6
0.283
MAK-UNK-69e28b36-1
0.283
MAK-UNK-72b7ba6b-1
0.282
MAK-UNK-176ca439-5
0.282
NIL-NON-a189c016-1
0.280
MAT-POS-162a9720-2
0.280
GIA-UNK-b9c616ea-5
0.278
BEN-DND-76ad4ac9-7
0.278
MAR-TRE-f6f5f473-45
0.277
MAK-UNK-752736de-2
0.277
MAR-TRE-4b834d9a-69
0.276
SAD-SAT-5b1897b2-10
0.275
MAK-UNK-942dcb71-4
0.274
SAD-SAT-65574d3f-9
0.272
SAD-SAT-5b1897b2-4
0.269
JON-MCD-47e58de1-1
0.269
BEN-DND-03406596-3
0.268
BEN-DND-76ad4ac9-14
0.268
MAR-TRE-3159af1a-21
0.267
HYO-UNK-49a60884-1
0.267
AAR-POS-d2a4d1df-35
0.267
MED-COV-4280ac29-15
0.267