Lipophilicny of Few Chromen-2-Ones And Chromene-2-Th10nes By Hyperchem 7.0 And Alogps 2.1
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Date
2011
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Abstract
Lipophilicity which plays an important role in researcm,i^^th^r'structure-activity
relationship of drug action has been theoretically predictl^^for fev^chromen-2-ones and
chromen-2-thiones using commercial software ^^HyperCft^’>'7.0 and an internet
computational software ALOGPS 2.1. In the compoiiij^s ana.lj^ed for lipophilicity using
HyperChem, the compounds possessing -NO^.grou]^ s h p ^ d a negative log P value. The
log P values of alt the other compounds, wey^;' " ‘ to .l.i.e. ...w...i.t.h..i n 3- . T—heoretical
determination of lipophilicity reduces the tim'd .involve'd in calculation of lipophilicity by
experimental methods. ALOGPS 2.1 waTcpmparatively greater than that calculated using
HyperChem.