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Molecular properties of the compounds.
| Compound | HOMO (eV) | LUMO (eV) | Egap a (eV) | Molecular surface area (A°) | Hydrogen bond donor | Hydrogen bond acceptor | AlogP |
|---|---|---|---|---|---|---|---|
| Amphotericin B | −7.87 | −0.812 | 7.06 | 1.07 | 13 | 17 | 3.339 |
| AmBisome | −6.88 | −1.93 | 4.95 | 1.92E0 | 13 | 18 | 3.433 |
Egap = ELUMO–EHOMOeV.
