Sr. No. | Descriptor | Definition |
1 | ALogP | Log of the octanol-water partition coefficient using Ghose and Crippen’s method |
2 | Jurs_RNCG | Charge of most negative atom divided by the total negative charge |
3 | Apol | The sum of the atomic polarizabilities |
4 | Jurs_DPSA_1 | Partial positive solvent-accessible surface area minus partial negative solvent-accessible surface area |
5 | Shadow_XZ | Area of the molecular shadow in the xz plane |
6 | Molecular_Solubility | Molecular solubility expressed as LogS, where S is the solubility in mol/L |