Table 4.
Table specifying selected compounds follow Lipinski rule of five. Chemical properties were predicted by online web tool (www.scfbio-iitd.res.in) Lipinski Rule of five.
| Sr. no. | Compound CID | Compound name | Molecular mass | LOgP | Hydrogen bond donors | Hydrogen bond acceptors | Molar refractivity |
|---|---|---|---|---|---|---|---|
| Natural drugs | |||||||
| 1 | 969516 | Curcumin | 368 | 3.36 | 2 | 6 | 102.0165 |
| 2 | 5469424 | Demethoxycurcumin | 338 | 3.361 | 2 | 5 | 95.4645 |
| 3 | 122792 | Flavonoid | 360 | 2.6254 | 3 | 8 | 90.376 |
| 4 | 5281797 | Isoflavone | 208 | 3.6195 | 0 | 1 | 66.2499 |
| 5 | 11230 | Terpinen-4-ol | 154 | 2.5 | 1 | 1 | 47.39 |
| 6 | 108058 | Nimbin | 540 | 3.92 | 0 | 9 | 137 |
| 7 | 638024 | Piperine | 285 | 2.99 | 0 | 4 | 81.1 |
| FDA approved drugs | |||||||
| 1 | 60172 | Adefovir | 273 | −0.43 | 4 | 8 | 62.5 |
| 2 | 2130 | Amantadine | 151 | 1.91 | 2 | 1 | 45.09 |
| 3 | 65028 | Oseltamivir | 312 | 1.28 | 3 | 6 | 84.15 |
| 4 | 37542 | Ribavirin | 244 | −3.0 | 5 | 8 | 51.5 |
| 5 | 60855 | Zanamavir | 332 | −3.78 | 9 | 11 | 76.89 |