There are two drugs for treat H5N1 avian influenza neuraminidase one is Oseltamivir (Tamiflu) and the other is Zanamivir (Relenza) approved by USA FDA , and as we may know there is another one in clinic trial. There was reported for mutant at Oseltamivir; and Zanamivir also has mutant at lab test. In 2006, Nature magazine published Rupert J. Russells’ report : “ The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design ”. They found a new pocket site beside the active site for the above two, where located at 150-loop and with a space 10 x 5 x 5 for the 150 cavity. This space probably can insert function groups or add an extra side chain from original compound. This research used computer added drug design (CADD) of molecular simulation to design new lead compound which can react with the 150-cavity of H5N1 neuraminidase.