Table 3.
Various guidelines for drug-like molecule classification.
| Properties | Parameters | Mitragynine | 7-Hydroxymitragynine |
|---|---|---|---|
| Lipinski Rule of Five |
Molecular mass: <500 Dalton | Yes |
Yes |
| High lipophilicity: LogP <5 | |||
| Hydrogen bond donors: <5 | |||
| Hydrogen bond acceptors: <10 | |||
| Molar refractivity: 40 to130 | |||
| Ghose Rule |
clogP: −0.4 to 5.6 | Yes |
Yes |
| MW: 160 to 480 | |||
| Molar refractivity: 40 to 130 | |||
| Total number of atoms: 20 to 70 | |||
| Veber Rule |
Rotatable bonds: ≤10 | Yes |
Yes |
| Polar surface area: ≤140 Å2 | |||
| Egan Rule |
WlogP: ≤5.88 | Yes |
Yes |
| TPSA: ≤131.6 | |||
| Muegge Rule | MW: 200 to 600 | Yes | Yes |
| XlogP: −2 to 5 | |||
| TPSA: ≤150 | |||
| Number of rings: ≤7 | |||
| Number of carbon: >4 | |||
| Number of heteroatoms: >1 | |||
| Number of rotatable bonds: ≤15 | |||
| Hydrogen bond acceptors: ≤10 | |||
| 9. Hydrogen bond donors: ≤5 |