Table 2.
Pharmacokinetic assessment of synthesized drugs 3(a–e) and 5(a–e).
| Compound | M.Wt ≤ 500 | HBA ≤ 10 | HBD ≤ 5 | LogP ≤ 5 | LogS (mol/L) ≤ −4 | PSA ≤ 140 (A2) | Vol (A3) | Drug likeness score > 0 | RO5 |
|---|---|---|---|---|---|---|---|---|---|
| 3a | 313.10 | 5 | 2 | 2.54 | -2.65 | 75.69 | 301.07 | 0.16 | Yes |
| 3b | 313.10 | 5 | 2 | 2.51 | -2.78 | 75.69 | 300.99 | 0.49 | Yes |
| 3c | 329.09 | 6 | 3 | 2.76 | -3.23 | 92.24 | 312.25 | 0.74 | Yes |
| 3d | 329.09 | 6 | 3 | 1.96 | -2.40 | 91.17 | 313.72 | 0.60 | Yes |
| 3e | 329.09 | 6 | 3 | 2.10 | -2.62 | 93.31 | 311.77 | -0.08 | Yes |
| 5a | 323.12 | 4 | 1 | 3.52 | -3.67 | 57.48 | 334.19 | -0.60 | Yes |
| 5b | 339.11 | 5 | 2 | 2.96 | -3.33 | 75.09 | 344.74 | -0.05 | Yes |
| 5c | 355.11 | 6 | 3 | 2.72 | -3.11 | 91.64 | 355.34 | -0.08 | Yes |
| 5d | 357.08 | 4 | 1 | 4.12 | -4.73 | 57.48 | 351.39 | -0.04 | Yes |
| 5e | 341.13 | 5 | 2 | 2.82 | -3.30 | 75.09 | 336.60 | -0.01 | Yes |
| Kojic acid | 142.03 | 4 | 2 | -1.07 | -0.08 | 56.19 | 148.32 | -1.04 | Yes |
| Arbutin | 272.09 | 7 | 5 | -1.14 | -0.96 | 97.71 | 228.69 | -1.04 | Yes |
M.Wt: molecular weight; HBA: number of hydrogen bond acceptor; HBD: number of hydrogen bond donor, LogP: partition coefficient; LogS: lipophilicity of water; PSA: total polar surface area; RO5: Lipinski's rule of 5.