简介

Octanol/water partition coefficients (logP) are often a critical piece of information in the compound discovery process. As a measure of the hydrophobicity of a compound, logP is often correlated with activity and is a common descriptor in QSAR. Molar refractivity (MR) serves as a convenient estimate of molecular polarizability which is also a useful descriptor in establishing QSAR relationships. Measuring either property directly requires synthesis of a relatively large amount of any given compound. The ClogP/CMR™ application provides highly accurate calculated logP and MR values. These methods were originally developed during the Pomona College Medicinal Chemistry Project, as part of over two decades of research by Dr. Corwin Hansch and Dr. Albert Leo (now of BioByte Corporation).

These highly accurate, industry standard algorithms are available as a component of Tripos' SYBYL expert molecular modeling environment.

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ClogP/CMR Brochure (462k)