Table 3.
Calculated Lipinski parameters for complexation of compounds 1-11 by Molinspiration method
| No | Compounds | miLogP | Mw | nON | nOHNH | nRotb |
|---|---|---|---|---|---|---|
| 1 | Rosmarinic Acid | -1.09 | 359.31 | 8 | 4 | 7 |
| 2 | Salvigenin | 3.23 | 329.32 | 6 | 1 | 4 |
| 3 | Salvianolic Acid B | 1.89 | 718.62 | 16 | 9 | 14 |
| 4 | Salvianolic Acid A | 3.01 | 494.45 | 10 | 7 | 9 |
| 5 | Tanshinone IIA | 4.16 | 294.35 | 3 | 0 | 0 |
| 6 | Dihydrotanshinone I | 2.92 | 280.32 | 3 | 0 | 0 |
| 7 | Tanshinone I | 3.83 | 276.29 | 3 | 0 | 0 |
| 8 | Carnosic Acid | 4.30 | 338.49 | 4 | 3 | 2 |
| 9 | Carnosol | 5.22 | 346.47 | 4 | 2 | 3 |
| 10 | Cryptotanshinone | 3.25 | 298.38 | 3 | 0 | 0 |
| 11 | Danshensu Salt | -2.96 | 197.17 | 5 | 3 | 3 |