Table 2 Physicochemical properties of compounds calculated based on the Lipinski’s rule of 5
S/N | Plant source | Ligands | Molecular weight | LogP | No of HB donor | No of HB acceptor | No of violations |
|---|---|---|---|---|---|---|---|
1. | Azadirachta indica | Nimbin | 540.24 | 1.276 | 0 | 9 | 1 |
Nimbandiol | 456.21 | − 0.311 | 2 | 7 | 0 | ||
Nimbinene | 482.23 | 0.928 | 0 | 7 | 0 | ||
Quercetin | 302.04 | 1.834 | 5 | 7 | 0 | ||
Rutin | 610.15 | − 0.735 | 10 | 16 | 3 | ||
2. | Crinum glaucum | Crinamine | 301.342 | 0.613 | 1 | 5 | 0 |
Lycorine | 287.315 | − 0.285 | 2 | 5 | 0 | ||
3. | Mangifera indica | Catechin | 290.08 | 0.852 | 5 | 6 | 0 |
Ellagic acid | 302.01 | 1.366 | 4 | 8 | 0 | ||
Epicatechin | 290.08 | 0.852 | 5 | 6 | 0 | ||
Gallic acid | 170.02 | 0.964 | 4 | 5 | 0 | ||
Kaempferol | 286.05 | 1.486 | 4 | 6 | 0 | ||
Mangiferin | 422.08 | − 0.631 | 8 | 11 | 2 | ||
4. | Synthetic Drug | Cromolyn Sodium | 512.03 | 0.992 | 1 | 11 | 2 |