Package chemaxon.calculations.bbb

BBB score calculator.

The used physico-chemical properties are the following:

  • Number of aromatic rings (ARO_R)
  • Number of heavy atoms (HA)
  • MWHBN (MW^(-0.5) * (HBN), where HBN = HBA + HBD
  • topological polar surface area (TPSA)
  • PKa calculation for bbb score

Links: