Table 3. . Predicted pharmacokinetic properties of the best-scored diterpenes.
| Compounds | Molecular weight | H-bond acceptor | H-bond donor | MLogP | Lipinski’s violation | TPSA (Å2) | WLOGP |
|---|---|---|---|---|---|---|---|
| 1† | 286.45 | 1 | 1 | 4.92 | 1 | 20.23 | 5.55 |
| 2† | 284.44 | 1 | 0 | 4.56 | 1 | 17.07 | 5.48 |
| 3† | 300.44 | 2 | 1 | 3.9 | 0 | 37.30 | 5.19 |
| 4† | 302.45 | 2 | 1 | 3.73 | 0 | 37.3 | 4.44 |
| 5† | 314.42 | 3 | 1 | 2.67 | 0 | 54.37 | 4.31 |
| 8‡ | 648.69 | 13 | 1 | 1.08 | 2 | 185.87 | 2.66 |
| 9‡ | 608.63 | 13 | 1 | 0.59 | 2 | 185.87 | 1.71 |
| 13‡ | 552.61 | 11 | 2 | 1.04 | 2 | 162.73 | 1.82 |
| 14‡ | 624.80 | 8 | 0 | 4.33 | 2 | 105.20 | 6.77 |
| 16‡ | 614.68 | 11 | 2 | 2.04 | 2 | 162.73 | 3.11 |
| 17§ | 592.63 | 12 | 1 | 1.49 | 2 | 168.80 | 2.12 |
| 18§ | 696.78 | 12 | 1 | 2.99 | 2 | 168.80 | 4.15 |
| 19§ | 714.75 | 14 | 1 | 2.13 | 2 | 195.10 | 2.89 |
| 20§ | 730.75 | 15 | 2 | 1.40 | 2 | 215.33 | 1.87 |
| 21§ | 642.73 | 11 | 2 | 2.55 | 2 | 162.73 | 3.42 |
| 22¶ | 658.73 | 12 | 2 | 2.61 | 2 | 171.96 | 3.29 |
| 23# | 656.72 | 12 | 1 | 2.53 | 2 | 168.80 | 3.35 |
| 24# | 598.68 | 10 | 1 | 2.95 | 1 | 142.50 | 3.81 |
Abietanes.
Jatrophanes.
Segetanes.
Pepluane.
Paralianes.