采用比较分子场方法 ( Co MFA)对顺式氰基丙烯酸酯化合物进行了三维构效关系的研究 ,获得了具有较强预测能力的四点药效团模型 .距离空间图显示四点为苯环中心 (疏水中心 * )、羰基氧 ( O* * )和碳 ( C# )原子以及乙氧基的氧原子 ( O# # ) .原子间的距离为 :*— * * 0 .3 6 87nm,*— # 0 .3 6 56 nm,# #— * * 0 .3 950 nm,# #— # 0 .3 950 nm.文中讨论了药效团模型的非惟一性 A three-dimensional structure-activity relationship of cis-cyanoacrylate compounds was investigated by the comparative molecular field method (Co MFA), and a four-point pharmacophore model with strong predictive ability was obtained. The distance map showed that the four points were benzene ring (Hydrophobic center *), carbonyl oxygen (O * *) and carbon (C #) atoms and oxygen atoms of oxygen (O # #) .The distance between atoms is: * - * * - # 0 .3 6 56 nm, # # - * * 0 .3 950 nm, # # - # 0 .3 950 nm. In this paper, we discuss the non-uniqueness of the pharmacophore model