Table 2.
ADMET properties of the ligands by SwissADME
| Compound | MW | MlogP | HBA | HBD | Lipinski violations | GI absorption | BBB permeant |
|---|---|---|---|---|---|---|---|
| Tariquidar (control) | 646.73 g/mol | 2.68 | 8 | 2 | 1 violation: MW > 500 | Low | No |
| Zosuquidar (control) | 527.60 g/mol | 3.66 | 7 | 1 | 1 violation: MW > 500 | High | Yes |
| Grossamide | 624.68 g/mol | 1.90 | 8 | 5 | 1 violation: MW > 500 | Low | No |
| Cannabisin A | 594.61 g/mol | 2.36 | 8 | 8 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin B | 596.63 g/mol | 1.53 | 8 | 8 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin C | 610.65 g/mol | 1.72 | 8 | 7 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin D | 624.68 g/mol | 1.90 | 8 | 6 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin E | 642.69 g/mol | 1.53 | 9 | 6 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin F | 624.68 g/mol | 2.22 | 8 | 5 | 1 violation: MW > 500 | Low | No |
| Cannabisin G | 624.68 g/mol | 2.22 | 8 | 6 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin M | 596.63 g/mol | 1.53 | 8 | 6 | 2 violations: MW > 500, NHorOH > 5 | Low | No |
| Cannabisin N | 610.65 g/mol | 1.72 | 8 | 5 | 1 violation: MW > 500 | Low | No |
MW Molecular weight, HBA Num. H-bond acceptors, HBD Num. H-bond donors, BBB Blood brain barrier, GI Absorption Gastro intestinal absorption