Table 2.
Molecular properties of conventional drugs and quercetin.
| Property | Details | Value |
||||
|---|---|---|---|---|---|---|
| Rivastigmine | Donepezil | Galantamine | Tacrine | Quercetin | ||
| log P | Octanol-water partition coefficient | 2.276 | 4.1 | 1.987 | 3.05 | 1.683 |
| TPSA | Polar surface area | 32.781 | 38.777 | 41.934 | 38.915 | 131.351 |
| N atoms | Number of non-hydrogen atoms | 18.0 | 28.0 | 22.0 | 15.0 | 22.0 |
| MW | Molecular weight | 250.342 | 379.5 | 301.386 | 198.269 | 302.238 |
| n ON | Number of hydrogen-bond acceptors (O and N atoms) | 4 | 4 | 4 | 2 | 7 |
| n OHNH | Number of hydrogen-bond donors (OH and NH groups) | 0 | 0 | 1 | 2 | 5 |
| n violations | Number of rule of 5 violations | 0 | 0 | 0 | 0 | 0 |
| n rotb | Number of rotatable bonds | 5 | 6 | 1 | 0 | 1 |
| Volume | Molecular volume | 254.014 | 367.895 | 284.431 | 191.533 | 240.084 |