TABLE 3.
Summary of molecular descriptors and partitioning coefficients (logBB) determined for lead compounds (drugs) with highest Aβ inhibition properties.
| Compound | MW | AlogP | HBA | HBD | PSA | QED | logBBcl | logBBri | logBBexp |
|---|---|---|---|---|---|---|---|---|---|
| Menadione | 253.25 | 0.98 | 4 | 0 | 88.18 | 0.76 | −1.02 | −0.57 | — |
| Camphotamide | 231.29 | 1.14 | 3 | 0 | 71.11 | 0.69 | −0.74 | −0.37 | — |
| TRA | 138.17 | −0.91 | 3 | 1 | 80.06 | 0.58 | −1.18 | −0.78 | — |
| Donepezil | 379.5 | 4.36 | 4 | 0 | 38.77 | 0.72 | 0.23 | 0.45 | 0.89 |