Table 4.
Predicted ADME parameters, drug-likeness, pharmacokinetic and physicochemical properties of phytochemical compounds from COA®-FS herbal medicine and four FDA-approved drugsusing SWISSADME server.
| Compound Name |
Molecular Formula | Molecular Weight (g/mol) | Lipophilicity (iLOGP) | Water Solubility | GIT Absorption | BBB Permeability | Bioavailability Score |
Synthetic Accessibility | Drug likeness (Lipinski) |
|---|---|---|---|---|---|---|---|---|---|
| ATV | C38H52N6O7 | 704.869 | 3.56 | Poor | Low | No | 0.17 | 6.24 | No (2) |
| SQV | C38H50N6O5 | 670.855 | 3.66 | Poor | Low | No | 0.17 | 5.94 | No (2) |
| LPV | C74H96N10O10S2 | 1349.762 | 3.44 | Poor | High | No | 0.55 | 5.67 | Yes |
| DRV | C27H37N3O7S | 547.667 | 3.20 | Moderate | Low | No | 0.55 | 5.67 | Yes |
| EGCG | C22H18O11 | 458.37 | 1.83 | High | Low | No | 0.17 | 4.20 | No (2) |
| K7G | C21H20O11 | 448.38 | 1.55 | High | Low | No | 0.17 | 5.24 | No (2) |
| EGA | C14H6O8 | 302.19 | 0.79 | High | High | No | 0.55 | 3.17 | Yes |
| LUT | C15H10O6 | 286.24 | 1.86 | High | High | No | 0.55 | 3.02 | Yes |
| GER | C30H24O10 | 544.51 | 2.14 | Moderate | Low | No | 0.17 | 5.73 | No (2) |
| CHD | C27H440 | 384.64 | 4.81 | Poor | Low | No | 0.55 | 6.29 | No (3) |
| APG | C15H10O5 | 270.24 | 1.89 | Moderate | High | No | 0.55 | 2.96 | Yes |
| FST | C15H10O6 | 286.24 | 1.50 | High | High | No | 0.55 | 3.16 | Yes |
| LNT | C30H50O | 426.72 | 5.09 | Poor | Low | No | 0.55 | 6.07 | No (3) |
| BIT | C8H7NS | 149.21 | 2.19 | High | High | Yes | 0.55 | 1.59 | Yes |
| GA | C7H6O5 | 170.12 | 0.21 | High | High | No | 0.56 | 1.22 | Yes |
| IST | C20H30O3 | 318.45 | 2.27 | Moderate | High | Yes | 0.56 | 4.83 | Yes |
| STG | C29H480 | 412.69 | 4.96 | Poor | Low | No | 0.55 | 6.21 | No (3) |
| NGN | C15H12O5 | 27.2.25 | 1.75 | Soluble | High | No | 0.55 | 3.01 | Yes |
| PTA | C8H6O4 | 166.13 | 0.60 | Soluble | High | No | 0.56 | 1.00 | No (2) |