Several approaches have been done so far for the assessment of biological activity of certain molecules before synthesizing them. Successful methods are used to reduce the time, cost and labor. Physical parameters plays important rule in the absorption, distribution, metabolism and excretion (ADME) of a molecule in a biological system. Pre-assessment of those parameters and comparison study with standard can give better idea about ADME of the molecule. Different software has been developed by which we can theoretically check for bioactivity of a molecule towards different receptors. In our present work we have done the comparison study of physical parameters and bioactivity towards different receptors with standard drug. The synthesis was done by using suitable synthetic route and antimicrobial study was performed. IR, NMR, MASS spectral data give the supporting evidence for successful synthesis of desired compounds. From the antimicrobial study it was found that 2-(4-methoxy-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)-6,7-diphenylquinoxaline from first series showed highest antifungal activity having closest druglikeness score, physical parameters to standard; 6,7-diphenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl) quinoxaline from the second series showed nearest druglikeness score, physical parameters to standard and showed highest antibacterial activity. Increase electron density in oxadiazole ring diminishes its antifungal activity and introduces antibacterial activity; as we found it give highest druglikeness score for nuclear receptor legend. Study of physical parameters can be used as an important tool for pre-assessment of its biological activity.
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