Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C)C(=O)Nc1ccc(OC)cc1 |
MW: | 392.377 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 58.64 |
cLogP: | 4.2602 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-16
0.671
RAL-MED-9a5eb9cb-3
0.654
RAL-MED-9a5eb9cb-17
0.633
LON-WEI-b8d98729-27
0.576
RAL-MED-9a5eb9cb-13
0.532
NIM-NMI-8bb27a2b-25
0.478
RAL-MED-9a5eb9cb-4
0.478
RAL-MED-9a5eb9cb-5
0.469
RAL-MED-9a5eb9cb-2
0.467
LON-WEI-d1c9908a-7
0.467
RAL-MED-9a5eb9cb-1
0.462
RIT-AID-af4ac3d4-1
0.457
LON-WEI-b8d98729-37
0.443
WIL-UNI-a125ac6f-1
0.427
BRU-LEF-973da26b-1
0.413
LON-WEI-b8d98729-12
0.411
RAL-MED-9a5eb9cb-10
0.407
RAL-MED-9a5eb9cb-9
0.407
LON-WEI-b8d98729-47
0.400
RAL-MED-9a5eb9cb-14
0.398
NIM-NMI-8bb27a2b-26
0.390
LON-WEI-d1c9908a-5
0.388
NIM-NMI-8bb27a2b-19
0.387
NIM-NMI-8bb27a2b-24
0.387
RAL-MED-9a5eb9cb-6
0.384
BRU-LEF-e1854a6f-1
0.379
ERI-UCB-fbdd3ea1-4
0.378
RAL-MED-9a5eb9cb-12
0.378
LON-WEI-b8d98729-41
0.375
LON-WEI-8f408cad-10
0.366
RAL-MED-9a5eb9cb-11
0.365
NIM-NMI-8bb27a2b-22
0.365
NIM-NMI-8bb27a2b-23
0.357
NIM-NMI-8bb27a2b-18
0.357
NIM-NMI-8bb27a2b-17
0.355
RAL-MED-9a5eb9cb-8
0.354
NIM-NMI-8bb27a2b-16
0.354
LON-WEI-d1c9908a-3
0.353
BRU-LEF-8bac3ce8-1
0.351
LON-WEI-adc59df6-41
0.351
RAL-MED-9a5eb9cb-7
0.349
LON-WEI-adc59df6-12
0.347
LON-WEI-adc59df6-15
0.347
LON-WEI-b8d98729-25
0.346
NIM-NMI-8bb27a2b-21
0.343
RAL-MED-9a5eb9cb-15
0.340
ERI-UCB-fbdd3ea1-1
0.340
LON-WEI-b8d98729-39
0.340
ERI-UCB-fbdd3ea1-2
0.340
LON-WEI-adc59df6-13
0.339
LON-WEI-b8d98729-35
0.337
MAR-TRE-6c5ef77a-25
0.333
LON-WEI-adc59df6-37
0.333
LON-WEI-adc59df6-45
0.333
NIM-NMI-8bb27a2b-15
0.333
NIM-NMI-8bb27a2b-20
0.330
LON-WEI-adc59df6-58
0.330
LON-WEI-babf2c61-9
0.324
NIM-NMI-8bb27a2b-28
0.324
LON-WEI-adc59df6-59
0.323
LON-WEI-b8d98729-33
0.320
LON-WEI-adc59df6-51
0.319
NIM-NMI-8bb27a2b-8
0.315
LON-WEI-adc59df6-18
0.314
LON-WEI-adc59df6-21
0.312
LON-WEI-babf2c61-6
0.311
LON-WEI-b8d98729-22
0.311
MAR-TRE-f5c2d31c-60
0.310
LON-WEI-b8d98729-8
0.308
NIM-NMI-8bb27a2b-27
0.308
LON-WEI-b8d98729-28
0.308
LON-WEI-adc59df6-3
0.308
LON-WEI-babf2c61-8
0.306
LON-WEI-b8d98729-26
0.306
LON-WEI-babf2c61-5
0.303
LON-WEI-adc59df6-55
0.302
LON-WEI-adc59df6-46
0.301
KEI-TRE-d5e2018a-27
0.300
MAR-TRE-7f7bb9f0-16
0.300
LON-WEI-adc59df6-24
0.299
LON-WEI-b8d98729-40
0.299
LON-WEI-adc59df6-5
0.298
LON-WEI-adc59df6-61
0.298
LON-WEI-adc59df6-31
0.296
LON-WEI-adc59df6-50
0.295
LON-WEI-adc59df6-49
0.293
LON-WEI-adc59df6-91
0.293
DAR-DIA-2b784ede-37
0.292
DAR-DIA-2b784ede-40
0.292
LON-WEI-babf2c61-7
0.292
LON-WEI-adc59df6-60
0.292
LON-WEI-adc59df6-11
0.291
DAR-DIA-2b784ede-41
0.291
LON-WEI-d1c9908a-4
0.291
LON-WEI-adc59df6-26
0.290
LON-WEI-adc59df6-42
0.290
LON-WEI-d1c9908a-11
0.288
LON-WEI-8f408cad-8
0.287
RIT-AID-a497c99f-1
0.286
LON-WEI-adc59df6-4
0.284