Table 2.
Quantitative analysis of molecular electrostatic potential.
| Parameters | Naringenin | Narirutin | Naringin | Hesperetin | Hesperidin | Neohesperidin | Nobiletin | Neohesperidin dihydrochalcone |
|---|---|---|---|---|---|---|---|---|
| Volume (Angstrom^3) | 302.19627 | 623.87043 | 621.56982 | 335.10534 | 653.45142 | 658.60285 | 462.35190 | 671.84562 |
| Minimal value (kcal/mol) | −52.59893 | −49.79904 | −49.56763 | −51.60869 | −45.25282 | −42.47707 | −48.01324 | −50.35080 |
| Maximal value(kcal/mol) | 60.13802 | 61.43728 | 58.59879 | 61.29152 | 60.79677 | 51.60445 | 17.04324 | 59.52240 |
| Overall surface area (Angstrom^2) | 283.86467 | 507.81990 | 494.37966 | 313.01741 | 528.94389 | 560.95240 | 421.43319 | 575.99629 |
| Positive surface area (Angstrom^2) | 128.01047 | 291.84662 | 268.26315 | 149.37680 | 274.92109 | 268.65558 | 228.58465 | 299.82638 |
| Negative surface area (Angstrom^2) | 155.85420 | 215.97328 | 226.11651 | 163.64061 | 254.02280 | 292.29682 | 192.84854 | 276.16991 |
| Overall average value (kcal/mol) | −0.44340 | 1.97470 | 1.53791 | −0.29428 | 0.73501 | −0.30582 | −1.09868 | 1.31316 |
| Positive average value (kcal/mol) | 15.43217 | 14.46651 | 14.74237 | 13.98182 | 13.38476 | 13.92216 | 7.35345 | 14.01082 |
| Negative average value (kcal/mol) | −13.48275 | −14.90560 | −14.12777 | −13.32599 | −12.95543 | −13.38302 | −11.11704 | −12.47216 |
| Balance of charges (nu) | 0.23780 | 0.24993 | 0.24909 | 0.24070 | 0.24039 | 0.24659 | 0.11022 | 0.24468 |
| Internal charge separation (kcal/mol) | 14.32292 | 14.45547 | 14.38153 | 13.62801 | 13.16245 | 13.63018 | 9.20900 | 13.26088 |
| Molecular polarity index (kcal/mol) | 14.36185 | 14.65326 | 14.46127 | 13.63896 | 13.17858 | 13.64123 | 9.07568 | 13.27309 |