I predicted physicochemical properties, safety and binding affinity towards respective targets of newly designed some drug like molecule. moreover I would like to predict kinetic properties like AUC, Cmax,Tmax, t1/2, CL
It completely depends on what kind of modelling you are doing. If you have a mathematical model of structure, then MatLab, MathCAD, or Comsol are all excellent choices.
If you are doing molecular mechanics modelling, then Wikipedia has a nice list at: