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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:

  • 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:

  1. ChemAxon Documentation: About Chemical Calculations and Predictions [Link]