CATEGORY
Molecular Properties
SOURCE
ChemAxon
DESCRIPTION
Veber filter for orally active drugs implemented using ChemAxon
INPUTS
Dataset of Molecules
OUTPUTS
Dataset of Molecules
OPTIONS
Filter mode: INCLUDE_ALL, INCLUDE_PASS, INCLUDE_FAIL
Number of violations: the number of filters that are allowed to fail
Property filters for rotatable bonds and polar surface area can be specified as min and/or max values. Defaults are as specified in the original paper. Leave empty if no constraint is to be applied.
ADDITIONAL INFO
The Veber filter is a rule of thumb filter for orally active drugs described in Veber et. al., J Med Chem. 2002; 45(12): 2615-23.
The default parameters used here are:
- Rotatable bonds <= 10
- Topological polar surface area <= 140
See also: