Table 1.
Pharmacokinetic/Absorption, Distribution, Metabolism and Elimination (ADME) predictions of the target compounds 6–14.
| No. | Lipinski Parameters | nROTB e | TPSA f | %ABS g | BBB h | GI ABS i | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| MW a | HBAs b | HBDs c | LogP d | Violations | ||||||
| 6 | 349.41 | 5 | 0 | 3.54 | 0 | 5 | 94.93 | 76.24 | No | High |
| 7 | 349.41 | 5 | 0 | 3.5 | 0 | 5 | 94.93 | 76.24 | No | High |
| 8 | 369.83 | 5 | 0 | 3.33 | 0 | 5 | 94.93 | 76.24 | No | High |
| 9 | 369.83 | 5 | 0 | 3.5 | 0 | 5 | 94.93 | 76.24 | No | High |
| 10 | 414.28 | 5 | 0 | 3.62 | 0 | 5 | 94.93 | 76.24 | No | High |
| 11 | 380.38 | 7 | 0 | 2.97 | 0 | 6 | 140.75 | 60.44 | No | Low |
| 12 | 335.38 | 5 | 0 | 3.21 | 0 | 5 | 94.93 | 76.24 | No | High |
| 13 | 393.42 | 7 | 0 | 3.39 | 0 | 7 | 121.23 | 67.17 | No | High |
| 14 | 379.39 | 7 | 1 | 2.48 | 0 | 6 | 132.23 | 63.38 | No | High |
a Molecular weight; b hydrogen bond acceptors; c hydrogen bond donors; d partition coefficient; e number of rotatable bonds; f topological polar surface area; g absorption (%); h blood–brain barrier; i gastro-intestinal absorption.