Bacillus Anthracis is a gram positive, rod shaped spore- forming bacterium that causes infectious disease Anthrax. Hydroxamate analogues are used as inhibitors of the anthrax lethal toxin. QSAR models by stepwise regression analysis is developed using quantum chemical descriptors. After considering training set and test set we have also designed seventeen compounds and predicted their activity. This work may be helpful in screening and synthesis of Anthrax inhibitor.