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Article ID: 1386 - Last Modified: June 3, 2011

Which physical properties does QikProp predict?

QikProp predicts, for drug candidate molecules, a number of properties that are useful in determining such characteristics as bioavailability and pharmacodynamics. QikProp predicts the properties listed below.

  • Octanol/water partition coefficient (log Po/w)
  • Blood/brain partition coefficient (log BB)
  • Aqueous solubility (log S)
  • Caco-2 cell permeability (PCaco)
  • MDCK cell permeability (PMDCK)
  • Skin permeability (log Kp)
  • Free energy of solvation in water
  • Free energy of solvation in octanol
  • Free energy of solvation in hexadecane
  • Polarizability
  • CNS Activity
  • Ionization potential
  • Electron affinity
  • Number of likely metabolic reactions (metabol)
  • Prediction of binding to human serum albumin (QPlogKhsa)
  • Human oral absorption
  • Maximum transdermal transport rate

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