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Pharmacokinetics properties predictions of compounds 2a, 3e and 3g.
| Compound | |||
|---|---|---|---|
| Property | 2a | 3e | 3g |
| miLogP | 3.81 | 5.94 | 6.62 |
| Topological polar surface area; TPSA (Å) | 43.09 | 43.06 | 43.09 |
| Absorption (%); 109-(0.345 × TPSA) | 94.13 | 94.14 | 94.13 |
| Number of atom | 18 | 26 | 27 |
| Molecular weight | 237.30 | 343.40 | 377.85 |
| Molecular volume | 229.70 | 316.90 | 330.43 |
| Hydrogen bond acceptor | 2 | 2 | 2 |
| Hydrogen bond donor | 2 | 2 | 2 |
| Rotatable bonds | 3 | 5 | 5 |
| Lipinski’s violation | 0 | 1 | 1 |
