Table 4.
Insilico ADMET screening for synthesized compounds.
| Entry | Dipole | Donor HB | Acceptor HB | LogPo/w | No. of Metabolite | Rule of five |
|---|---|---|---|---|---|---|
| 4a | 4.874 | 1 | 6 | 5.445 | 3 | 1 |
| 4b | 5.013 | 1 | 6 | 5.763 | 4 | 1 |
| 4c | 5.519 | 1 | 6 | 6.120 | 2 | 2 |
| 4d | 4.419 | 1 | 6 | 6.946 | 2 | 2 |
| 4e | 4.806 | 1 | 6 | 6.413 | 3 | 2 |
| 4f | 5.346 | 1 | 6 | 6.276 | 2 | 2 |
| 4g | 10.408 | 1 | 8 | 3.689 | 5 | 1 |
| 4h | 3.398 | 1 | 7.5 | 4.860 | 4 | 1 |
| 4i | 3.754 | 1 | 6 | 6.973 | 2 | 2 |
| 4j | 3.571 | 1 | 6 | 4.877 | 4 | 2 |
| 4k | 4.549 | 1 | 7 | 3.808 | 4 | 2 |
| 4l | 5.221 | 1 | 6 | 6.215 | 3 | 2 |
| 4m | 5.602 | 1 | 6 | 5.604 | 2 | 1 |
| 4n | 5.300 | 1 | 6 | 7.007 | 2 | 2 |
| 4o | 5.950 | 1 | 6 | 6.064 | 2 | 2 |
| 4p | 5.985 | 1 | 6 | 6.807 | 2 | 2 |
| 5a | 6.000 | 1 | 6 | 6.134 | 3 | 2 |
| 5b | 6.420 | 1 | 6 | 6.758 | 4 | 2 |
| 5c | 4.985 | 1 | 6 | 7.054 | 2 | 2 |
| 5d | 6.384 | 1 | 6 | 7.775 | 2 | 2 |
| 5e | 6.004 | 1 | 6 | 6.585 | 3 | 2 |
| 5f | 6.184 | 1 | 6 | 6.906 | 2 | 2 |
| 5g | 3.660 | 1 | 6 | 4.709 | 5 | 1 |
| 5k | 6.209 | 1 | 7 | 4.946 | 4 | 1 |
| 5l | 6.696 | 1 | 6 | 6.902 | 3 | 2 |
| 5m | 4.956 | 1 | 6 | 6.605 | 2 | 2 |
| 5n | 4.875 | 1 | 6 | 8.093 | 2 | 2 |
| 6a | 9.397 | 1 | 5 | 5.194 | 3 | 1 |
| 6b | 9.321 | 1 | 5 | 5.512 | 2 | 1 |
| 6c | 10.000 | 1 | 5 | 5.689 | 2 | 2 |
| 6d | 11.738 | 1 | 5 | 6.014 | 2 | 2 |
| 6e | 11.184 | 1 | 5.75 | 5.689 | 3 | 1 |
| 6f | 10.011 | 1 | 5 | 5.778 | 2 | 2 |
| 6g | 10.183 | 1 | 5 | 5.446 | 2 | 1 |
| 6h | 9.015 | 1 | 5 | 5.410 | 3 | 1 |
| 6i | 10.878 | 1 | 5 | 5.501 | 4 | 1 |
| 6j | 9.297 | 1 | 5 | 5.752 | 3 | 2 |
| 6k | 10.758 | 1 | 5 | 6.197 | 2 | 2 |
| 6l | 11.516 | 1 | 5 | 5.047 | 3 | 1 |
| 6m | 10.260 | 1 | 5.5 | 4.524 | 3 | 2 |
| 6n | 11.203 | 1 | 7.25 | 5.509 | 5 | 2 |
| Recommended values | 1–12.5 | 0–6 | 2–20 | 1–8 | Max 4 |
Dipole- Computed dipole moment of the molecule.
AccptHB- Estimated number of hydrogen bonds that would be accepted by the solute from water molecules in an aqueous solution.
logPo/w - Predicted octanol/water partition coefficient.
metab- Number of likely metabolic reactions.
Rule of Five: Number of violations of Lipinski's rule of five.