Table 4.
Orbital energy of the selected inhibitors of the MDPI database
S. No. | Compound name | HOMO energy | LUMO energy | HLG (eV) |
---|---|---|---|---|
1 | MDPI14871 | −0.19363 | −0.05277 | 0.14086 |
2 | MDPI20746 | −0.20836 | −0.06113 | 0.14723 |
3 | MDPI14352 | −0.21861 | −0.10158 | 0.11703 |