Table 4.
Pharmacokinetics of the new derivatives.
| S/N | MW | log P | HBA | HBD | TPSA | AMR | nRB | nA | nAc | ABS % | LNV | RNV |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 17a | 497 | 0.648 | 7 | 0 | 160.7 | 134.93 | 9 | 34 | 0 | 53.8 | 0 | 1 |
| 17b | 586 | 2.423 | 7 | 0 | 160.7 | 168.29 | 11 | 41 | 0 | 53.8 | 1 | 2 |
| 17c | 625 | 2.03 | 8 | 0 | 160.7 | 180.15 | 11 | 44 | 0 | 53.8 | 1 | 2 |
| 17d | 552 | 2.609 | 7 | 0 | 160.7 | 152.41 | 11 | 38 | 0 | 53.8 | 1 | 2 |
| 17e | 552 | 2.398 | 7 | 0 | 160.7 | 151.03 | 11 | 38 | 0 | 53.8 | 1 | 2 |
| 17f | 538 | 1.829 | 7 | 0 | 160.7 | 147.96 | 10 | 37 | 0 | 53.8 | 1 | 2 |
| 17g | 449 | –0.62 | 7 | 0 | 143.63 | 112.6 | 6 | 30 | 0 | 59.45 | 0 | 0 |
| 17h | 432 | 0.406 | 6 | 0 | 143.63 | 109.55 | 6 | 29 | 0 | 59.45 | 0 | 0 |
| 17i | 417 | –0.24 | 7 | 0 | 100.49 | 113.66 | 5 | 28 | 0 | 74.33 | 0 | 0 |
| 17j | 401 | 0.792 | 6 | 0 | 100.49 | 110.61 | 5 | 27 | 0 | 74.33 | 0 | 0 |
| 17k | 403 | –0.63 | 7 | 0 | 100.49 | 109.38 | 5 | 27 | 0 | 74.33 | 0 | 0 |
| 17l | 387 | 0.40 | 6 | 0 | 100.49 | 106.33 | 5 | 26 | 0 | 74.33 | 0 | 0 |
MW: molecular weight; HBA: hydrogen bond acceptor; HBD: hydrogen bond donor; TPSA: total polar surface area; nRB: number of rotatable bond; nAc: number of acid; AMR: molar refractivity; nA: number of atoms; LNV: Lipinski’s number of violations; RNV: Reckitt’s number of violation.