Table 8.
Data of Physiochemical properties and Lipinski rule.
| MW | NRB | HBA | HBD | TPSA | Lipophilicity Log Po/w | Log Kp (skin, permeation) cm/s | Lipinski rule |
GI absorption | ||
|---|---|---|---|---|---|---|---|---|---|---|
| Score | violation | |||||||||
| IL01 | 140.16 | 0 | 3 | 2 | 64.94 | 0.08 | -6.66 | Yes | 0 | High |
| IL 02 | 154.19 | 0 | 3 | 2 | 40.54 | 0.06 | -6.75 | Yes | 0 | High |
| IL 03 | 168.21 | 2 | 3 | 2 | 40.54 | 0.40 | -6.50 | Yes | 0 | High |
| IL 04 | 182.24 | 2 | 3 | 2 | 40.54 | 0.74 | -6.33 | Yes | 0 | High |
| IL 05 | 208.16 | 1 | 6 | 2 | 64.94 | 0.88 | -6.28 | Yes | 0 | High |
| IL06 | 196.27 | 3 | 3 | 2 | 40.54 | 1.10 | -5.63 | Yes | 0 | High |
| IL 07 | 257.52 | 1 | 3 | 2 | 40.54 | 0.91 | -6.07 | Yes | 0 | High |
| IL08 | 390.87 | 1 | 3 | 2 | 40.54 | 1.21 | -6.52 | Yes | 0 | High |
Note: MW: molecular weight, HBD: No. of H-bond donors, HBA: No. of H-bond acceptor, NRB; No. of rotatable bonds, TPSA: topological polar surface area.