Table 6 Physiochemical parameters and toxicity profile of ligand molecules for Lipinski’s rule.
Compounds | MW | HBA | HBD | MLog Po/w | MR | NRB | LV | Muta-genicity | Carcino-genicity | Acute oral toxicity |
|---|---|---|---|---|---|---|---|---|---|---|
Heptanediamide, N,N’-di-benzoyloxy | 398 | 6 | 2 | 3.41 | 103.3 | 14 | Yes 0 viol | None | None | IV |
2-[4-Methyl-6-(2,6,6-trimethyl- cyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde | 324 | 1 | 0 | 5.05 | 106.2 | 5 | Yes 1 viol | None | None | III |
Obtusifoliol | 426 | 1 | 1 | 6.82 | 137.3 | 5 | Yes 1 viol | None | None | III |
Clionasterol | 414 | 1 | 1 | 6.7 | 133.1 | 6 | Yes 1 viol | None | None | I |
Cycloartenol | 426 | 1 | 1 | 6.9 | 135.1 | 4 | Yes 1 viol | None | None | III |
Cycloeucalenol | 426 | 1 | 1 | 6.9 | 135 | 5 | Yes 1 viol | None | None | III |
