Table 3 In-silico drug likeness prediction of the compounds
From: Quassia amara bioactive compounds as a Novel DPP-IV inhibitor: an in-silico study
COMPOUNDS | MW | HBA | HBD | TPSA | ILOGP | LOGKP | ROV |
|---|---|---|---|---|---|---|---|
Vitexin | 432.383 | 10 | 7 | 181.05 | 1.63 | − 8.79 | 1 |
Quassimarin | 536.575 | 11 | 3 | 165.89 | 2.69 | − 9.40 | 2 |
Simalikalactone D | 478.538 | 9 | 3 | 139.59 | 2.49 | − 8.79 | 0 |
Brucein D | 410.42 | 9 | 5 | 153.75 | 0.00 | − 10.52 | 0 |
Quassinol | 360.406 | 6 | 2 | 93.06 | 1.71 | − 7.89 | 0 |
Alogliptin | 339.39 | 4 | 1 | 97.05 | 2.38 | − 7.93 | 0 |