Molecular Properties | |
SMILES: | C=CC(=O)N(C(C(=O)Nc1ccc(OC)cc1)c1cccnc1)C(C)(C)C |
MW: | 367.449 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.53 |
cLogP: | 3.5831 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-6
0.718
LON-WEI-d1c9908a-7
0.646
RAL-MED-9a5eb9cb-8
0.642
RIT-AID-af4ac3d4-1
0.631
BRU-LEF-973da26b-1
0.622
BRU-LEF-e1854a6f-1
0.614
LON-WEI-b8d98729-12
0.612
LON-WEI-b8d98729-27
0.612
LON-WEI-b8d98729-47
0.600
LON-WEI-d1c9908a-5
0.580
LON-WEI-8f408cad-10
0.567
RAL-MED-9a5eb9cb-7
0.566
LON-WEI-b8d98729-25
0.531
RAL-MED-9a5eb9cb-4
0.527
RAL-MED-9a5eb9cb-5
0.516
RAL-MED-9a5eb9cb-1
0.511
NIM-NMI-8bb27a2b-8
0.495
LON-WEI-adc59df6-12
0.495
NIM-NMI-8bb27a2b-25
0.495
LON-WEI-adc59df6-41
0.489
LON-WEI-b8d98729-22
0.484
LON-WEI-b8d98729-33
0.479
LON-WEI-adc59df6-13
0.475
LON-WEI-b8d98729-21
0.474
LON-WEI-d1c9908a-3
0.469
LON-WEI-b8d98729-35
0.468
LON-WEI-b8d98729-24
0.467
LON-WEI-adc59df6-37
0.463
LON-WEI-b8d98729-43
0.455
LON-WEI-d1c9908a-2
0.453
JAN-GHE-d851b096-4
0.452
LON-WEI-b8d98729-11
0.448
LON-WEI-b8d98729-37
0.444
LON-WEI-adc59df6-45
0.444
LON-WEI-b8d98729-28
0.444
LON-WEI-d1c9908a-11
0.442
RAL-MED-9a5eb9cb-9
0.440
LON-WEI-adc59df6-3
0.435
RAL-MED-9a5eb9cb-3
0.435
LON-WEI-b8d98729-40
0.434
LON-WEI-adc59df6-24
0.434
LON-WEI-b8d98729-14
0.433
LON-WEI-b8d98729-8
0.430
LON-WEI-adc59df6-18
0.427
LON-WEI-adc59df6-46
0.427
LON-WEI-b8d98729-26
0.426
LON-WEI-b8d98729-30
0.426
LON-WEI-adc59df6-5
0.423
LON-WEI-adc59df6-11
0.422
LON-WEI-d1c9908a-4
0.422
NIM-NMI-8bb27a2b-9
0.422
RAL-MED-9a5eb9cb-2
0.421
JAN-GHE-d851b096-9
0.419
LON-WEI-adc59df6-15
0.418
LON-WEI-adc59df6-87
0.417
LON-WEI-adc59df6-30
0.416
LON-WEI-adc59df6-81
0.416
LON-WEI-b8d98729-10
0.413
LON-WEI-b8d98729-7
0.411
LON-WEI-adc59df6-84
0.411
RAL-MED-9a5eb9cb-10
0.409
LON-WEI-8f408cad-8
0.409
LON-WEI-b8d98729-44
0.408
LON-WEI-adc59df6-44
0.407
NIM-NMI-8bb27a2b-26
0.406
LON-WEI-adc59df6-21
0.404
LON-WEI-adc59df6-26
0.404
LON-WEI-adc59df6-35
0.404
LON-WEI-adc59df6-42
0.404
JAN-GHE-d851b096-8
0.402
LON-WEI-adc59df6-43
0.402
LON-WEI-b8d98729-9
0.402
LON-WEI-adc59df6-4
0.402
LON-WEI-adc59df6-80
0.400
LON-WEI-adc59df6-65
0.398
LON-WEI-adc59df6-14
0.398
LON-WEI-adc59df6-97
0.398
RAL-MED-9a5eb9cb-18
0.398
LON-WEI-adc59df6-27
0.396
LON-WEI-adc59df6-8
0.396
LON-WEI-adc59df6-70
0.396
LON-WEI-b8d98729-6
0.396
LON-WEI-adc59df6-72
0.396
RAL-MED-9a5eb9cb-12
0.396
ERI-UCB-fbdd3ea1-4
0.396
ERI-UCB-fbdd3ea1-19
0.396
LON-WEI-b8d98729-1
0.394
LON-WEI-b8d98729-17
0.394
LON-WEI-b8d98729-15
0.394
ERI-UCB-fbdd3ea1-13
0.394
LON-WEI-adc59df6-85
0.392
NIM-NMI-8bb27a2b-11
0.392
LON-WEI-adc59df6-38
0.391
LON-WEI-adc59df6-9
0.390
LON-WEI-d1c9908a-12
0.390
LON-WEI-adc59df6-33
0.390
LON-WEI-adc59df6-95
0.389
NIM-NMI-8bb27a2b-3
0.389
NIM-NMI-8bb27a2b-19
0.389
RAL-MED-9a5eb9cb-16
0.389