Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)C1CCCC1 |
MW: | 446.469 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 58.64 |
cLogP: | 5.4305 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-18
0.633
RAL-MED-9a5eb9cb-16
0.598
RAL-MED-9a5eb9cb-3
0.568
LON-WEI-b8d98729-27
0.521
RAL-MED-9a5eb9cb-13
0.477
RAL-MED-9a5eb9cb-4
0.436
RAL-MED-9a5eb9cb-2
0.424
LON-WEI-d1c9908a-7
0.424
NIM-NMI-8bb27a2b-25
0.422
RAL-MED-9a5eb9cb-1
0.420
RIT-AID-af4ac3d4-1
0.416
RAL-MED-9a5eb9cb-5
0.415
LON-WEI-b8d98729-37
0.393
RAL-MED-9a5eb9cb-15
0.390
RAL-MED-9a5eb9cb-8
0.390
LON-WEI-b8d98729-12
0.388
WIL-UNI-a125ac6f-1
0.388
NIM-NMI-8bb27a2b-15
0.382
LON-WEI-d1c9908a-5
0.381
NIM-NMI-8bb27a2b-17
0.378
BRU-LEF-973da26b-1
0.376
RAL-MED-9a5eb9cb-9
0.370
RAL-MED-9a5eb9cb-10
0.368
LON-WEI-b8d98729-47
0.365
RAL-MED-9a5eb9cb-14
0.361
NIM-NMI-8bb27a2b-26
0.358
NIM-NMI-8bb27a2b-19
0.353
RAL-MED-9a5eb9cb-6
0.347
NIM-NMI-8bb27a2b-22
0.346
BRU-LEF-e1854a6f-1
0.346
ERI-UCB-fbdd3ea1-4
0.343
RAL-MED-9a5eb9cb-12
0.343
NIM-NMI-8bb27a2b-24
0.340
LON-WEI-8f408cad-10
0.336
LON-WEI-adc59df6-41
0.333
LON-WEI-adc59df6-12
0.330
LON-WEI-b8d98729-41
0.330
RAL-MED-9a5eb9cb-11
0.330
NIM-NMI-8bb27a2b-21
0.327
NIM-NMI-8bb27a2b-18
0.327
NIM-NMI-8bb27a2b-23
0.327
LON-WEI-adc59df6-13
0.325
ERI-UCB-fbdd3ea1-2
0.324
LON-WEI-b8d98729-39
0.324
ERI-UCB-fbdd3ea1-1
0.324
NIM-NMI-8bb27a2b-16
0.324
BRU-LEF-8bac3ce8-1
0.321
LON-WEI-b8d98729-25
0.319
LON-WEI-adc59df6-45
0.319
LON-WEI-adc59df6-37
0.318
RAL-MED-9a5eb9cb-7
0.316
LON-WEI-adc59df6-35
0.314
LON-WEI-d1c9908a-3
0.312
LON-WEI-adc59df6-8
0.308
LON-WEI-adc59df6-14
0.308
LON-WEI-adc59df6-15
0.306
NIM-NMI-8bb27a2b-20
0.303
LON-WEI-adc59df6-44
0.301
LON-WEI-adc59df6-58
0.301
LON-WEI-adc59df6-18
0.300
LON-WEI-adc59df6-6
0.298
LON-WEI-babf2c61-9
0.298
MAR-TRE-6c5ef77a-25
0.298
LON-WEI-b8d98729-35
0.297
NIM-NMI-8bb27a2b-28
0.297
LON-WEI-b8d98729-33
0.295
LON-WEI-babf2c61-8
0.293
LON-WEI-adc59df6-1
0.288
LON-WEI-babf2c61-6
0.287
LON-WEI-adc59df6-24
0.287
LON-WEI-b8d98729-22
0.286
DRA-CSI-47e38074-6
0.286
NIM-NMI-8bb27a2b-27
0.284
LON-WEI-adc59df6-43
0.284
LON-WEI-adc59df6-4
0.284
LON-WEI-b8d98729-28
0.284
LON-WEI-adc59df6-21
0.284
LON-WEI-adc59df6-59
0.283
LON-WEI-adc59df6-91
0.280
LON-WEI-adc59df6-3
0.280
LON-WEI-d1c9908a-4
0.280
NIM-NMI-8bb27a2b-8
0.280
LON-WEI-babf2c61-5
0.280
LON-WEI-adc59df6-11
0.280
LON-WEI-adc59df6-39
0.279
LON-WEI-adc59df6-51
0.279
WAR-XCH-bdd24732-6
0.277
LON-WEI-adc59df6-46
0.277
LON-WEI-d1c9908a-11
0.277
LON-WEI-d1c9908a-2
0.274
LON-WEI-b8d98729-8
0.274
DRA-CSI-7ec17797-2
0.273
LON-WEI-adc59df6-38
0.272
LON-WEI-babf2c61-7
0.270
LON-WEI-adc59df6-16
0.270
MAR-TRE-f5c2d31c-60
0.268
LON-WEI-adc59df6-49
0.267
LON-WEI-adc59df6-19
0.267
LON-WEI-adc59df6-32
0.267
LON-WEI-adc59df6-60
0.267