Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1ccccc1 |
MW: | 454.448 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 58.64 |
cLogP: | 5.613 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
LON-WEI-b8d98729-27
0.744
RAL-MED-9a5eb9cb-18
0.654
LON-WEI-d1c9908a-7
0.621
RAL-MED-9a5eb9cb-9
0.612
NIM-NMI-8bb27a2b-25
0.611
RIT-AID-af4ac3d4-1
0.607
RAL-MED-9a5eb9cb-16
0.598
RAL-MED-9a5eb9cb-4
0.593
RAL-MED-9a5eb9cb-17
0.568
RAL-MED-9a5eb9cb-5
0.562
BRU-LEF-973da26b-1
0.562
LON-WEI-b8d98729-12
0.554
WIL-UNI-a125ac6f-1
0.545
LON-WEI-b8d98729-47
0.543
RAL-MED-9a5eb9cb-1
0.543
LON-WEI-b8d98729-37
0.536
LON-WEI-d1c9908a-5
0.526
NIM-NMI-8bb27a2b-26
0.526
RAL-MED-9a5eb9cb-10
0.512
LON-WEI-adc59df6-13
0.505
LON-WEI-adc59df6-41
0.489
LON-WEI-b8d98729-41
0.484
NIM-NMI-8bb27a2b-19
0.484
RAL-MED-9a5eb9cb-12
0.478
ERI-UCB-fbdd3ea1-4
0.478
RAL-MED-9a5eb9cb-13
0.477
NIM-NMI-8bb27a2b-22
0.474
BRU-LEF-e1854a6f-1
0.474
BRU-LEF-8bac3ce8-1
0.474
LON-WEI-8f408cad-10
0.470
NIM-NMI-8bb27a2b-24
0.468
NIM-NMI-8bb27a2b-17
0.467
LON-WEI-adc59df6-12
0.465
NIM-NMI-8bb27a2b-20
0.464
LON-WEI-b8d98729-35
0.455
LON-WEI-adc59df6-15
0.450
LON-WEI-adc59df6-37
0.450
LON-WEI-b8d98729-33
0.450
NIM-NMI-8bb27a2b-23
0.449
NIM-NMI-8bb27a2b-18
0.449
NIM-NMI-8bb27a2b-16
0.448
RAL-MED-9a5eb9cb-15
0.448
NIM-NMI-8bb27a2b-21
0.446
LON-WEI-b8d98729-25
0.443
LON-WEI-d1c9908a-3
0.441
ERI-UCB-fbdd3ea1-2
0.441
ERI-UCB-fbdd3ea1-1
0.441
LON-WEI-b8d98729-39
0.441
RAL-MED-9a5eb9cb-2
0.439
NIM-NMI-8bb27a2b-15
0.439
RAL-MED-9a5eb9cb-6
0.438
RAL-MED-9a5eb9cb-11
0.437
RAL-MED-9a5eb9cb-14
0.435
LON-WEI-adc59df6-45
0.433
LON-WEI-adc59df6-18
0.430
LON-WEI-b8d98729-22
0.426
LON-WEI-adc59df6-46
0.416
NIM-NMI-8bb27a2b-28
0.412
LON-WEI-b8d98729-24
0.410
LON-WEI-adc59df6-24
0.410
LON-WEI-babf2c61-9
0.410
LON-WEI-adc59df6-42
0.408
LON-WEI-adc59df6-34
0.408
LON-WEI-adc59df6-38
0.407
LON-WEI-adc59df6-3
0.407
ALP-POS-568d9d36-1
0.404
RAL-MED-9a5eb9cb-8
0.404
LON-WEI-d1c9908a-11
0.402
LON-WEI-adc59df6-5
0.398
LON-WEI-d1c9908a-2
0.398
LON-WEI-adc59df6-58
0.396
LON-WEI-d1c9908a-12
0.394
LON-WEI-adc59df6-21
0.394
NIM-NMI-8bb27a2b-27
0.393
LON-WEI-b8d98729-28
0.393
LON-WEI-adc59df6-4
0.393
LON-WEI-adc59df6-43
0.393
LON-WEI-adc59df6-30
0.389
LON-WEI-adc59df6-11
0.385
LON-WEI-adc59df6-91
0.384
LON-WEI-b8d98729-40
0.383
LON-WEI-babf2c61-6
0.383
LON-WEI-8f408cad-8
0.383
LON-WEI-adc59df6-40
0.382
JAN-GHE-d851b096-4
0.382
LON-WEI-adc59df6-44
0.381
LON-WEI-adc59df6-9
0.381
LON-WEI-adc59df6-33
0.381
LON-WEI-adc59df6-26
0.380
LON-WEI-b8d98729-8
0.380
LON-WEI-d1c9908a-9
0.377
LON-WEI-adc59df6-16
0.377
LON-WEI-babf2c61-8
0.376
LON-WEI-adc59df6-31
0.374
LON-WEI-adc59df6-14
0.374
LON-WEI-b8d98729-36
0.373
LON-WEI-d1c9908a-4
0.373
NIM-NMI-8bb27a2b-8
0.373
LON-WEI-babf2c61-5
0.373
LON-WEI-adc59df6-27
0.373