S.No. | Descriptor | Description |
---|---|---|
1. | AM1_HF | The heat of formation (kcal/mol) |
2. | AM1_HOMO | The energy (eV) of the Highest Occupied Molecular Orbital |
3. | ASA+ | Water accessible surface area of all atoms with positive partial charge |
4. | ASA- | Water accessible surface area of all atoms with negative partial charge |
5. | ASA_P | Water accessible surface area of all polar |
6. | E_ele | Electrostatic component of the potential energy. |
7. | KierFlex | Kier molecular flexibility index |
8 | LogS | Log of the aqueous solubility (mol/L). |
9. | Std_dim3 | The square root of the third largest eigenvalue of the covariance matrix of the atomic coordinates. |
10. | Vsurf_CP | Â |
11. | Vsurf_CW2 | Capacity factor |
12. | Vsuf_D8 | Hydrophobic volume |
13. | Vsurf_EWmin | Lowest hydrophilic energy |
14. | Vsurf_HB1 | H-bond donor capacity |