Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool

Journal of Medicinal Chemistry

Volumn 56, Issue 12, 2013, Pages 4870-4879

  Shalaeva, Marina ^a   Caron, Giulia ^b   Abramov, Yuriy A ^a   O'Connell, Thomas N ^a   Plummer, Mark S ^a   Yalamanchi, Geeta ^a   Farley, Kathleen A ^a   Goetz, Gilles H ^a   Philippe, Laurence ^a   Shapiro, Michael J ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

OCTANOL; PROTON; TOLUENE;

ARTICLE; COMPUTATIONAL FLUID DYNAMICS; COMPUTER PROGRAM; CONTINUUM SOLVATION MODEL; COSMO RS SOFTWARE; CRYSTAL STRUCTURE; DRUG DESIGN; HYDROGEN BOND; INTRAMOLECULAR HYDROGEN BONDING; LIPOPHILICITY; MOLECULAR RECOGNITION; MOLECULE; PROPENSITY SCORE; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; QUANTUM CHEMISTRY; RING OPENING; SOLVATION;

CHEMISTRY, PHARMACEUTICAL; CRYSTALLOGRAPHY, X-RAY; DRUG DISCOVERY; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OCTANOLS; REPRODUCIBILITY OF RESULTS; SOFTWARE; TOLUENE;

EID: 84879599196     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301850m     Document Type: Article

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