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. 2023 May 22;18(5):295–308. doi: 10.2217/fvl-2022-0163

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.