International Journal of Phytomedicine and Phytotherapy
From: In vivo and in silico evaluation of analgesic activity of Lippia alba
Chemical name | MW (g/mol) | HBA | HBD | c logP | Molar Refractivity | No of violations |
---|---|---|---|---|---|---|
Geranial | 152.23 | 1 | 0 | 3.27 | 49.44 | 0 |
Neral | 152.23 | 1 | 0 | 3.27 | 49.44 | 0 |
(E)-Caryophyllene | 204.35 | 0 | 0 | 5.49 | 68.78 | 0 |
Caryophyllene Oxide | 220.35 | 1 | 0 | 4.06 | 68.27 | 0 |
Allo-aromadendrene epoxide | 220.35 | 1 | 0 | 2.92 | 66.63 | 0 |
Theveside | 390.34 | 11 | 7 | −3.40 | 83.77 | 1 |
8-epi-loganin | 390.38 | 10 | 5 | −1.97 | 87.37 | 0 |
Mussaenoside | 390.38 | 10 | 5 | −1.94 | 87.40 | 0 |
Apigenin 7-O-glucuronide | 446.36 | 11 | 6 | −0.0032 | 106.72 | 2 |
Luteolin 7-O-glucuronide | 462.36 | 12 | 7 | −0.35 | 108.74 | 2 |