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INTRODUCTION<br> Global drug properties<br> Physicochemical Properties in Drug Profiling<br> ELECTRONIC PROPERTIES<br> Drug Ionization and Physicochemical Profiling<br> Electrotopological state indices<br> Polar surface area<br> Calculation of Hydrogen Bonding Capabilities<br> CONFORMATION<br> 3D structure generation<br> Ligand Conformational Sampling Techniques<br> Conformational analysis of drugs by NMR<br> SOLUBILITY<br> Experimental approaches to aqueous solubility<br> Solubility Calculation approaches<br> LIPOPHILICITY<br> Partitioning approaches for measuring logP<br> chromatographic approaches<br> Substructure-based logP calculation<br> Property-based logP calculation<br> LogD: measurement and calculation<br> DRUG- AND LEAD-LIKENESS<br> Properties guiding drug- and leadlikeness<br>

Molecular Drug Properties: Measurement and Prediction is a good read and a useful book and will provide valuable advice to the ever increasing diversity of researchers tackling the task of drug design." (<i>Journal of Medicinal Chemistry</i>, January 22, 2009)

Raimund Mannhold is Professor for Molecular Drug Research at the University of Dusseldorf, Germany. His scientific interests lie with QSAR studies and related methods to determine and predict drug properties. He is a founding editor of the book series 'Methods and Principles in Medicinal Chemistry' and serves on the editorial boards of several journals in the field of medicinal chemistry and drug design.

This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates.<br> <br> Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity, solubility, electronic properties and conformation. Finally, it is shown how physico-chemical drug properties guide drug- and lead-likeness.<br>

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