Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C)(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 469.463 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.1821 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
LON-WEI-b8d98729-27
0.521
RAL-MED-9a5eb9cb-13
0.494
RAL-MED-9a5eb9cb-16
0.473
RAL-MED-9a5eb9cb-18
0.467
LON-WEI-d1c9908a-7
0.455
RAL-MED-9a5eb9cb-4
0.451
RAL-MED-9a5eb9cb-3
0.439
NIM-NMI-8bb27a2b-25
0.437
RAL-MED-9a5eb9cb-1
0.436
RIT-AID-af4ac3d4-1
0.431
RAL-MED-9a5eb9cb-5
0.430
RAL-MED-9a5eb9cb-17
0.424
RAL-MED-9a5eb9cb-14
0.421
LON-WEI-b8d98729-37
0.421
RAL-MED-9a5eb9cb-6
0.409
RAL-MED-9a5eb9cb-9
0.400
RAL-MED-9a5eb9cb-10
0.400
BRU-LEF-973da26b-1
0.392
LON-WEI-b8d98729-12
0.390
ERI-UCB-fbdd3ea1-4
0.388
RAL-MED-9a5eb9cb-12
0.388
NIM-NMI-8bb27a2b-19
0.382
LON-WEI-b8d98729-47
0.381
RAL-MED-9a5eb9cb-8
0.379
RAL-MED-9a5eb9cb-7
0.376
RAL-MED-9a5eb9cb-11
0.376
BRU-LEF-e1854a6f-1
0.375
NIM-NMI-8bb27a2b-22
0.375
NIM-NMI-8bb27a2b-26
0.373
LON-WEI-d1c9908a-5
0.370
NIM-NMI-8bb27a2b-24
0.369
NIM-NMI-8bb27a2b-23
0.368
LON-WEI-d1c9908a-3
0.364
LON-WEI-8f408cad-10
0.364
BRU-LEF-8bac3ce8-1
0.362
LON-WEI-b8d98729-41
0.358
LON-WEI-adc59df6-12
0.358
LON-WEI-adc59df6-45
0.357
NIM-NMI-8bb27a2b-18
0.355
NIM-NMI-8bb27a2b-17
0.353
NIM-NMI-8bb27a2b-16
0.352
LON-WEI-adc59df6-13
0.350
LON-WEI-adc59df6-41
0.349
LON-WEI-adc59df6-15
0.345
LON-WEI-adc59df6-37
0.345
LON-WEI-b8d98729-25
0.345
NIM-NMI-8bb27a2b-20
0.343
NIM-NMI-8bb27a2b-21
0.342
WIL-UNI-5578df48-5
0.340
RAL-MED-9a5eb9cb-15
0.340
LON-WEI-adc59df6-18
0.339
LON-WEI-b8d98729-39
0.339
ERI-UCB-fbdd3ea1-1
0.339
ERI-UCB-fbdd3ea1-2
0.339
LON-WEI-adc59df6-3
0.337
NIM-NMI-8bb27a2b-15
0.333
WIL-UNI-5578df48-39
0.330
MAR-TRE-7f7bb9f0-90
0.330
NIM-NMI-8bb27a2b-8
0.328
LON-WEI-adc59df6-21
0.327
LON-WEI-babf2c61-9
0.325
NIM-NMI-8bb27a2b-28
0.324
ERI-UCB-fbdd3ea1-15
0.321
LON-WEI-adc59df6-26
0.318
LON-WEI-8f408cad-8
0.317
LON-WEI-adc59df6-46
0.315
LON-WEI-adc59df6-1
0.315
LON-WEI-adc59df6-24
0.313
LON-WEI-b8d98729-35
0.312
LON-WEI-adc59df6-27
0.312
LON-WEI-adc59df6-31
0.311
WIL-UNI-a125ac6f-1
0.311
LON-WEI-adc59df6-30
0.311
LON-WEI-b8d98729-28
0.310
LON-WEI-adc59df6-4
0.310
NIM-NMI-8bb27a2b-27
0.310
LON-WEI-b8d98729-33
0.310
LON-WEI-adc59df6-91
0.308
LON-WEI-b8d98729-26
0.308
LON-WEI-d1c9908a-9
0.307
LON-WEI-adc59df6-38
0.306
LON-WEI-adc59df6-42
0.306
LON-WEI-adc59df6-44
0.305
KEI-TRE-d5e2018a-92
0.304
MAR-TRE-7f7bb9f0-16
0.303
KEI-TRE-d5e2018a-27
0.303
ERI-UCB-fbdd3ea1-17
0.303
LON-WEI-b8d98729-40
0.302
LON-WEI-adc59df6-2
0.301
LON-WEI-adc59df6-5
0.301
ERI-UCB-fbdd3ea1-16
0.300
LON-WEI-adc59df6-43
0.299
LON-WEI-b8d98729-8
0.299
LON-WEI-adc59df6-14
0.299
LON-WEI-adc59df6-29
0.299
LON-WEI-adc59df6-9
0.298
LON-WEI-adc59df6-33
0.298
LON-WEI-adc59df6-40
0.297
LON-WEI-adc59df6-36
0.297
LON-WEI-b8d98729-43
0.297