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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 16, Number 12
BKCSDE 16(12)
December 20, 1995

Title	Prediction of Lipophilicity of Orthopramides by Comparative Molecular Field Analysis (CoMFA)
Author	Sung-eun Yoo*, Young Ah Shin
Keywords
Abstract	The comparative molecular field analysis (CoMFA) method has been employed to correlate the apparent lipophilicity (logkw) and global lipophilicity (logP) for orthopramide derivatives. This study demonstrated that CoMFA is an excellent method in predicting the complex properties of molecules such as apparent lipophilicity (logkw) or lipophilicity (logP). The better predictability of lipophilicity by introducing logkw as an independent descriptor suggests that the HPLC capacity factor measured in a buffer of pH 7.5 (logkw) can be effectively utilized in the prediction of global lipophilicity.
Page	1189 - 1193
Full Text	PDF

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