WDI-like rule

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January 28, 2015Druglikeness, Quick HelpBy Young-Mook Kang, PhD

WDI-like rule

This measurement is based on compounds that have molecular properties within the 90 % upper bound found in the WDI (World Drug Index).

[ Brown,R.D. et al. ”Tools for designing diverse, drug-like, cost-effective combinatorial libraries”; in Combinatorial Library Design and Evaluation”, Marcel Dekker, Inc. New York, 2001, 328. ]

Descriptors	90% cutoff	Descriptors	90% cutoff
MW	550	Kappa-2A	12
Rotbond	13	Kappa-3A	8
Hbond acceptor	9	CHI-V-0	20
Hbond donor	5	CHI-V-1	12
AlogP	5	CHI-V-2	10
MolRef	120	CHI-V-3P	8
Balaban Jx	2.8	CHI-V-3C	2.2
PHI	8	Wiener	4000
Kappa-1A	25	Zabreb	175

About the author

Young-Mook Kang, PhD

I have great experience with multiple computer languages, including C++, Java, Python, etc. since I began to study on Assembly, Basic and C languages in 1988. Additionally, I have a Master degree of computational chemistry, a Ph.D. degree in computational biology and over 16 years of experience working as a scientific software programmer in Bioinformatics and Cheminformatics.

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