Molecular weights (MW) and calculated n-octanol/water coefficients (log Pcalc) of the studied analogs.

The MW and log Pcalc values were calculated using ChemBioOffice Ultra 11.0 software. The log Pcalc is expressed as an average of the results of Crippen's and Viswanadhan's fragmentations and Broto's method.Molecular weights (MW) and calculated n-octanol/water coefficients (log Pcalc) of the studied analogs.本研究所涉及类似物的分子量（MW）与计算正辛醇/水分配系数（log Pcalc），均通过ChemBioOffice Ultra 11.0软件完成计算。其中log Pcalc为克里彭（Crippen）分子碎裂法、维什瓦纳坦（Viswanadhan）分子碎裂法与布罗托（Broto）法三种计算结果的平均值。