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Table 5 Hit filtration criteria

From: Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies

Criterion

Cutoff

Lipinski’s rule violation count

≤ 1

 Molecular weight

< 500

 logP

≤ 5

 # HBA

≤ 10

 # HBD

 ≤ 5

Veber’s rule

 

 Number of rotatable bonds

≤ 10

 Polar surface area

< 140 Å2

LogS

≥  − 5