Compound | Daniellic acid | Kojic acid | Quercetin | |
Molecular properties | Log P | 4.96 | −0. 89 | 1.68 |
MW (g·mol−1) | 316.44 | 142.11 | 302. 24 | |
Volume | 316.02 | 117.43 | 240.08 | |
Polar surface area | 50.44 | 70.67 | 131.35 | |
H bound acceptors | 3 | 4 | 7 | |
H bond donnors | 1 | 2 | 5 | |
Rotatable bounds | 4 | 1 | 1 | |
Bioactivity scores | GPCR ligand | 0.38 | −1.99 | −0.06 |
Ion channel modulator | 0.28 | −1.38 | −0.19 | |
Kinase inhibitor | −0.42 | −1.54 | 0,28 | |
Nuclear receptor ligand | 0.8 | −1.72 | 0.36 | |
Protease inhibitor | 0.13 | −1.22 | −0.25 | |
Enzyme inhibitor | 0.6 | −0.2 | 0.28 |