Table 2.
The prerequisites of Lipinski Ro5 tested compound
| Compound | Lipinski requirement |
Result | ||||
|---|---|---|---|---|---|---|
| Mass <500 Dalton | Hydrogen bond donor ≤5 | Hydrogen bond acceptors ≤10 | Lipophilicity (LogP) ≤5 | Molar refractivity 40-130 | ||
| Simvastatin | 1584.0000 | 0* | 24 | 0* | 0 | No |
| Quercetin-3-O-rutinoside | 610.0000 | 10 | 16 | −1.8788* | 137.4954 | No |
| Quercetin-3-O-rhamnoside | 448.0000* | 7 | 11 | 0.29700* | 104.862045* | Yes |
| quercetin-3-O-galactoside | 464.0000* | 8 | 12 | −0.73060* | 106.273842* | Yes |
| quercetin-3-O-glucoside | 462.0000* | 8 | 11 | 0.06700* | 109.507835* | Yes |
| Quercetin | 302.0000* | 5* | 7* | 2.0109* | 74.0505* | Yes |
| Catechin | 290.0000* | 5* | 6* | 1.5461* | 72.6230* | Yes |
| Epicatechin | 290.0000* | 5* | 6* | 1.5461* | 72.6230* | Yes |
| Procyanidin | 594.0000 | 10 | 13 | 2.7327* | 144.3050 | No |
| Phloridzin | 436.0000* | 7 | 10* | −0.2024* | 104.9250* | Yes |
| Chlorogenic Acid | 353.0000* | 5* | 9* | −1.9806* | 79.8900* | Yes |
| Pectin | 193.0000* | 4* | 7* | −4.4638* | 33.9072 | Yes |
*Fulfilling Lipinski Ro5 Requirements. LogP: Lipophilicity