Medicinal Chemistry: Partition Coefficient logP made by Roman Valiulin using ChemDraw

References:

1. Calculated clogP: Ghose/Crippen clogP; AlogP or ALOGP; MlogP; ClogP or Pomona clogP or CLOGP; XlogP; ElogP; Moka clogP; StarDrop clogP; ACD clogP; Marvin clogP;

Related to clogP Articles:

  • LogP using Semi-Empirical Electrotopological Index, see Reference;
  • Beyond the Rule of 5 chemical space, see Reference;
  • Predicting the pKa of Small Molecules, see Reference;

2. Drug Properties: Lipinski; Raub; Hitchcock/Pennington; Pajouhesh; Leeson; Wager (Ref1 and Ref2); Hansch; Shultz; Wenlock; Vieth; Ghose; Veber; Mahar;

3. Rules: logBB>0; LLE; LELP; 3/75 and 3/75;

4. Useful Links: ALOGPS 2.1; “CLogP and other short stories“; “LogP octanol for Agrochemicals“;