From: Computer-assisted evaluation of plant-derived β-secretase inhibitors in Alzheimer’s disease
Compound name | HOMO | LUMO | Gap | Hardness | Softness | Dipole moment |
---|---|---|---|---|---|---|
Amentoflavone | − 0.21882 | − 0.05716 | 0.16166 | 0.08083 | 12.3716 | 4.3526 |
Bilobetin | − 0.22136 | − 0.06108 | 0.16028 | 0.08014 | 12.4782 | 4.7627 |
Ellagic acid | − 0.22772 | − 0.06910 | 0.15801 | 0.07801 | 12.8189 | 2.4619 |