Table 4.
Drug-likeness prediction of citronellal and terpinene-4-ol using the SwissADME server. MW=Molecular weight, TPSA = total polar surface area.
Compound | MW (g/mol) | Rotatable bonds | H-bond acceptors | H-bond donors | TPSA (Å2) | Consensus Log P | Lipinski violations | Ghose violations | Egan violations | Veber violations | Muegge violations | Bioavailability score |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Citronellal | 154.25 | 5 | 1 | 0 | 17.07 | 2.94 | 0 | 1 | 0 | 0 | 2 | 0.55 |
Terpinen-4-ol | 154.25 | 1 | 1 | 1 | 20.23 | 2.60 | 0 | 1 | 0 | 0 | 2 | 0.55 |