1-Octanol-water partition coefficient of some cyanopyridine and chalcone compounds
نویسندگان
چکیده
منابع مشابه
A New Approach on Estimation of Solubility and n-octanol/water Partition Coefficient for Organohalogen Compounds
The aqueous solubility (logW) and n-octanol/water partition coefficient (logP(OW)) are important properties for pharmacology, toxicology and medicinal chemistry. Based on an understanding of the dissolution process, the frontier orbital interaction model was suggested in the present paper to describe the solvent-solute interactions of organohalogen compounds and a general three-parameter model ...
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A new possibility for estimating the octanol/water coefficient (log P) was investigated using only one descriptor, the semi-empirical electrotopological index (I(SET)). The predictability of four octanol/water partition coefficient (log P) calculation models was compared using a set of 131 aliphatic organic compounds from five different classes. Log P values were calculated employing atomic-con...
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It is important to determine whether a candidate molecule is capable of penetrating the partition coefficient octanolwater (LogPo/w) in drug discovery and development. The aim of this paper is to establish a predictive model for LogPo/w penetration using simple descriptors. The usefulness of the quantum chemical descriptors, calculated at the level of the HF theory using 6-31+G** basis set for ...
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Components of the chiral vector of carbon nanotubes have been examined in role of structural descriptors. Two-variable models of water solubility and octanol water partition coefficient calculated with components of the chiral vectors have quite good statistical characteristics. These are in case of the water solubility: n=8, r(2)=0.99998, s=0.05338, F=126,611 (training set); n=8, r(2)=0.9999, ...
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ژورنال
عنوان ژورنال: Revista Colombiana de Ciencias Químico-Farmacéuticas
سال: 2017
ISSN: 1909-6356,0034-7418
DOI: 10.15446/rcciquifa.v46n3.69466