Table 1.
Data of Lipinski rule, pharmacokinetics, and drug-likeness.
Sl. No. | CID | Molecular weight (g/mol) | Consensus Log Po/w | Hydrogen bond acceptor | Hydrogen bond donor | Molar refractivity | Topological polar surface area Å2 | Lipinski rule | Bioavailability Score | |
---|---|---|---|---|---|---|---|---|---|---|
Result | Violation | |||||||||
01 | Evodiamine | 303.36 | 2.7 | 1 | 1 | 97.67 | 39.34 | Yes | 0 | 0.55 |
02 | 49806754 | 342.39 | 2.52 | 2 | 0 | 107.13 | 52.27 | Yes | 0 | 0.55 |
03 | 49806624 | 427.93 | 4.54 | 1 | 0 | 132.07 | 28.48 | Yes | 1 | 0.55 |
04 | 49806625 | 427.93 | 4.48 | 1 | 0 | 132.07 | 28.48 | Yes | 1 | 0.55 |
05 | 49806500 | 437.49 | 3.76 | 3 | 0 | 133.97 | 54.78 | Yes | 0 | 0.55 |
06 | 129710532 | 321.37 | 2.44 | 2 | 2 | 100.72 | 48.57 | Yes | 0 | 0.55 |
07 | 151289 | 303.36 | 2.7 | 1 | 1 | 97.67 | 39.34 | Yes | 0 | 0.55 |
08 | 56967508 | 289.37 | 3 | 1 | 1 | 97.25 | 22.27 | Yes | 0 | 0.55 |
09 | 49804912 | 425.45 | 4.03 | 3 | 0 | 127.44 | 45.55 | Yes | 1 | 0.55 |
Standard: Sofosbuvir | 529.45 | 1.44 | 11 | 3 | 125.53 | 167.99 | No | 2 | 0.17 |