Comparison of the octanol/water partition coefficients calculated by ClogP®, ACDlogP and KowWin® to experimentally determined values

Stephen G. Machatha, Samuel H. Yalkowsky

Research output: Contribution to journalArticlepeer-review

119 Scopus citations

Abstract

The experimental octanol/water partition coefficient data, of 108 compounds from the data set [Rytting, E., Lentz, K.A., Chen, X., Qian, F., Venkatesh, S., 2004. A quantitative structure-property relationship for predicting drug solubility in PEG 400/water cosolvent systems. Pharm. Res. 21, 237-244] was compared to calculated values using the computer programs ClogP®, ACD/logPdb® and KowWin®. It was found that all the three programs have a user friendly interface but ClogP® appears to be the more accurate predictor of log Kow.

Original languageEnglish (US)
Pages (from-to)185-192
Number of pages8
JournalInternational Journal of Pharmaceutics
Volume294
Issue number1-2
DOIs
StatePublished - Apr 27 2005

Keywords

  • Calculated
  • Comparison
  • Octanol/water partition coefficient

ASJC Scopus subject areas

  • Pharmaceutical Science

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