Table 2.
List of the 10 selected ChemGPS descriptors.
| ChemGPS Descriptors | Correlation Coefficient with LogS0 | |
|---|---|---|
| Abbreviation | Description | |
| ALOGP | Ghose–Crippen octanol–water partition coefficient | −0.637 |
| nC | number of carbon atoms | −0.583 |
| nCIC | number of rings | −0.511 |
| nBnz | number of benzene-like rings | −0.510 |
| Ui | unsaturation index | −0.434 |
| Me | mean atomic Sanderson electronegativity (scaled on C atom) | 0.310 |
| RBN | number of rotatable bonds | −0.224 |
| nN | number of nitrogen atoms | 0.214 |
| nX | number of halogens | −0.200 |
| Hy | hydrophilic factor | −0.138 |