Molecular Descriptors of  N ‐Arylhydroxamic Acids: A Tool in Drug Design | Zendy

Tiwari Vaishali | Zendy; Pande Rama | Zendy

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Molecular Descriptors of N ‐Arylhydroxamic Acids: A Tool in Drug Design

Author(s) -

Tiwari Vaishali,

Pande Rama

Publication year - 2006

Publication title -

chemical biology and drug design

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.59

H-Index - 77

eISSN - 1747-0285

pISSN - 1747-0277

DOI - 10.1111/j.1747-0285.2006.00433.x

Subject(s) - partition coefficient , polarizability , lipophilicity , chemistry , hydrogen bond , molar volume , octanol , intermolecular force , quantitative structure–activity relationship , molecule , computational chemistry , stereochemistry , organic chemistry , thermodynamics , physics

The partition coefficient in the 1‐octanol/water system, log P (O/W), is a measure of lipophilicity. It is used as a predictor of solute–membrane partitioning. The objective of this study was to measure the log P (O/W) of five hydroxamic acids. Other molecular descriptors of these solutes, namely molar volume, molar refraction, parachor, polarizability ( π *), hydrogen‐bond donor acidity ( ɛ α ) and hydrogen‐bond acceptor basicity ( ɛ β ), have also been discussed. These properties represent the combined effects of a number of intermolecular forces between a solute and its environment.

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