Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)C)nc1)C(C(=O)Nc1c(CC)cccc1CO)c1cccnc1 |
MW: | 458.23 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 95.42 |
cLogP: | 4.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-b8d98729-18
0.761
LON-WEI-b8d98729-32
0.644
LON-WEI-b8d98729-26
0.612
DAR-DIA-2b784ede-52
0.580
DAR-DIA-2b784ede-39
0.535
LON-WEI-d1c9908a-10
0.530
LON-WEI-b8d98729-2
0.525
LON-WEI-b8d98729-45
0.524
LON-WEI-b8d98729-29
0.520
LON-WEI-b8d98729-39
0.520
ERI-UCB-fbdd3ea1-2
0.520
ERI-UCB-fbdd3ea1-1
0.520
LON-WEI-b8d98729-42
0.510
LON-WEI-d1c9908a-8
0.510
DAR-DIA-2b784ede-50
0.495
LON-WEI-b8d98729-48
0.486
NIM-NMI-8bb27a2b-22
0.480
DAR-DIA-2b784ede-49
0.473
LON-WEI-b8d98729-17
0.459
LON-WEI-adc59df6-73
0.455
LON-WEI-adc59df6-70
0.454
NIM-NMI-8bb27a2b-21
0.453
LON-WEI-d1c9908a-6
0.450
JAN-GHE-d851b096-4
0.447
LON-WEI-adc59df6-42
0.446
LON-WEI-d1c9908a-12
0.443
LON-WEI-adc59df6-30
0.443
DAR-DIA-2b784ede-48
0.441
LON-WEI-b8d98729-16
0.441
LON-WEI-b8d98729-46
0.440
LON-WEI-adc59df6-31
0.440
LON-WEI-adc59df6-46
0.438
DAR-DIA-2b784ede-46
0.435
LON-WEI-b8d98729-35
0.434
LON-WEI-b8d98729-19
0.434
LON-WEI-adc59df6-5
0.434
DAR-DIA-2b784ede-45
0.434
LON-WEI-adc59df6-21
0.433
LON-WEI-b8d98729-20
0.432
LON-WEI-b8d98729-36
0.432
LON-WEI-adc59df6-3
0.432
JAN-GHE-d851b096-9
0.431
LON-WEI-b8d98729-38
0.431
LON-WEI-b8d98729-33
0.430
LON-WEI-adc59df6-9
0.430
LON-WEI-adc59df6-12
0.430
LON-WEI-adc59df6-15
0.430
LON-WEI-adc59df6-34
0.430
LON-WEI-adc59df6-33
0.430
LON-WEI-adc59df6-80
0.429
BRU-LEF-973da26b-1
0.427
LON-WEI-d1c9908a-9
0.426
LON-WEI-adc59df6-14
0.426
RIT-AID-af4ac3d4-1
0.425
LON-WEI-adc59df6-18
0.425
LON-WEI-adc59df6-41
0.423
BRU-LEF-8bac3ce8-1
0.423
RAL-MED-9a5eb9cb-10
0.423
LON-WEI-8f408cad-8
0.423
RAL-MED-9a5eb9cb-9
0.422
LON-WEI-b8d98729-22
0.421
LON-WEI-adc59df6-44
0.420
LON-WEI-b8d98729-24
0.419
LON-WEI-b8d98729-41
0.419
LON-WEI-adc59df6-36
0.419
LON-WEI-d1c9908a-7
0.419
LON-WEI-adc59df6-24
0.418
NIM-NMI-8bb27a2b-24
0.417
LON-WEI-adc59df6-35
0.417
LON-WEI-adc59df6-37
0.417
LON-WEI-adc59df6-38
0.415
LON-WEI-b8d98729-47
0.415
LON-WEI-adc59df6-39
0.415
LON-WEI-adc59df6-87
0.415
LON-WEI-b8d98729-8
0.414
DAR-DIA-2b784ede-42
0.414
NIM-NMI-8bb27a2b-16
0.413
LON-WEI-adc59df6-28
0.413
LON-WEI-adc59df6-16
0.413
LON-WEI-b8d98729-13
0.413
LON-WEI-adc59df6-29
0.412
LON-WEI-b8d98729-10
0.412
LON-WEI-b8d98729-27
0.411
LON-WEI-b8d98729-12
0.411
LON-WEI-d1c9908a-11
0.411
LON-WEI-d1c9908a-13
0.411
RAL-MED-9a5eb9cb-12
0.410
LON-WEI-b8d98729-6
0.410
LON-WEI-b8d98729-7
0.410
ERI-UCB-fbdd3ea1-4
0.410
LON-WEI-adc59df6-8
0.410
LON-WEI-d1c9908a-3
0.409
LON-WEI-adc59df6-91
0.408
LON-WEI-d1c9908a-2
0.407
ERI-UCB-fbdd3ea1-3
0.407
LON-WEI-adc59df6-40
0.406
LON-WEI-b8d98729-40
0.405
NIM-NMI-8bb27a2b-26
0.405
LON-WEI-adc59df6-25
0.405
LON-WEI-adc59df6-13
0.405