Premium
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.