Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in order to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromatographic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by using unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molecular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.

许多结构上不同的酰胺和酰亚胺，包括琥珀酰亚胺衍生物，均具有多种生物活性。新化合物的开发要求设计合理化，以提供结构变化，以保证良好的理化性质，药理活性和安全性。在本研究中，进行了全面的研究，比较了五组1-芳基琥珀酰亚胺衍生物的色谱亲脂性和其他理化性质。通过无监督（层次聚类分析和主成分分析）和监督模式识别方法（线性判别分析）对它们的理化性质进行化学计量学分析，而计算机之间的相关性使用线性和非线性定量结构-保留关系（QSRR）方法检查了分子特征和色谱亲脂性。进行研究的主要目的是确定所研究的1-芳基琥珀酰亚胺之间的相似性和相异性，指出对其亲脂性具有重要影响的分子特征，并建立可用于预测的高质量QSRR模型。结构相似的1-芳基琥珀酰亚胺的色谱亲脂性 这项研究是对1-芳基琥珀酰亚胺的理化性质进行分析和确定的继续，这可能是对其生物学潜力进行进一步体外和最终体内研究的重要指导。