Moreover, the energy Ievel of HOMO, net charge and orbital electron density of O(24) , net charge of O(26) , clog P and cMR have important effect on the fungicidal activity.

• 此外,化合物的HOMO能级、0(24)的原子净电荷及轨道电子密度、0(26)的原子净电荷、clog P及cMR等均对生物活性产生重要影响。