Quantitative structure activity considerations on the spore-inhibiting activity of esters of 1,3-dihydroxybutane.

Esters of 1,3-dihydroxybutane inhibit the growth of the asexual spores of Aspergillus niger. This activity is non-linearly related to lipophilic and steric parameters, e.g. partition coefficient, molecular connectivity and van der Waal's volumes. The gauche parabolic shape of the activity curve allows a transformation in a simple, bilinear mathematical model. Branched esters possess higher activity than the linear ones. The most potent molecule is the 2-ethylbutanoyl-1,3-dihydroxy-butane.