Predicted Bioavailability
The predicted bioavailability of a molecule is a mathematical determination of the likelihood that it will exhibit oral bioavailability. This prediction is based on 7 molecular properties that act as “filters” - each property is assigned a “1” or “0” (i.e. true or false) based on data pulled from ChemAxon, and a score of ≥6/7 evaluates the entire expression to “true”, suggesting the molecule will exhibit oral bioavailability.1
The 7 molecular properties assessed are:
The 7 molecular properties assessed are:
- Molecular mass ≤500 Da
- logP ≤5
- Less than or equal to 5 hydrogen bond donors
- Less than or equal to 10 hydrogen bond acceptors
- Less than or equal to 10 rotatable bonds
- Polar surface area ≤200
- Less than or equal to 5 fused aromatic rings
Molecules failing to meet at least 6 of the 7 criteria are predicted to lack oral bioavailability.
References:
- ChemAxon Documentation: About Chemical Calculations and Predictions [Link]
