Table 7.
Structures and chemical properties of the selected flavonoids against MEK1 to predict the drug-likeness: molecular weight, lipophilicity (LogP), number of (#) rotatable bonds, hydrogen acceptors and hydrogen donors, and polar surface area.
| Rank | Compound (CID) | Structure | Molecular Weight | LogP | #Rotatable Bonds | #Acceptors | #Donors | Surface Area |
|---|---|---|---|---|---|---|---|---|
| 1 | 129696793 |
|
384.387 | 4.7673 | 4 | 5 | 2 | 165.349 |
| 2 | 10813589 |
|
454.478 | 5.246 | 6 | 6 | 0 | 195.555 |
| 3 | 10991656 |
|
348.354 | 4.3729 | 1 | 5 | 0 | 148.966 |
| 4 | 10524567 |
|
392.495 | 5.6003 | 1 | 4 | 0 | 171.717 |
| 5 | 10575055 |
|
439.423 | 4.991 | 5 | 6 | 2 | 186.688 |