Table 1 ADMET properties used.
From: Computational screening of phytochemicals targeting mutant KRAS in colorectal cancer
No. of properties | ADMET properties | Recommended ranges |
|---|---|---|
1 | Lipinski rule | |
Molecular Weight (Dalton) | < 500 | |
NO. of Donor hydrogen bonds | ≤ 5 | |
Log P | ≤ 5 | |
NO. of acceptor hydrogen bonds | ≤ 10 | |
2 | Veber Filter | |
Polar surface area | < 140 Å2 | |
No. of rotatable bonds (FrRotB) | < 10 | |
3 | Water solubility (Sw) | ≥ 0.010 mg/mL |
Pharmacokinetics | ||
4 | GI absorption BBB permeability | < −1 (for BBB-) |
Gastrointestinal absorption | High | |
Skin Permeability | -3 to -2.5 cm/s | |
Drug likeliness | ||
5 | Bioavailability score | > 0.7(high), 0.4–0.7(moderate), < 0.4 (low) |
