Lipophilicity of regioisomers: A case study on 3(2H)-pyridazinones

Journal of Molecular Structure: THEOCHEM

Volumn 578, Issue 1-3, 2002, Pages 89-91

  Károlyházy, László ^a   Szabó, Diána ^a   Anwair, Massud A S ^a   Borosy, András P ^b   Takács Novák, Krisztina ^c   Mátyus, Péter ^a  

^a SEMMELWEIS UNIVERSITY OF MEDICINE   (Hungary)

^b Institute for Drug Research Budapest   (Hungary)

^c SEMMELWEIS UNIVERSITY   (Hungary)

Author keywords

3(2H) pyridazinones; 3DNET; Ghose crippen; KOWWIN; Log P; Q log P; ScilogPUltra; Viliar

Indexed keywords

3(2H) PYRIDAZINONE DERIVATIVE; 4 AMINOPYRIDAZINONE DERIVATIVE; 5 AMINOPYRIDAZINONE DERIVATIVE; OCTANOL; PYRIDAZINONE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; ISOMERISM; LIPOPHILICITY; PARTITION COEFFICIENT; QUANTUM CHEMISTRY; REACTION ANALYSIS; SYNTHESIS;

EID: 0037074835     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00685-6     Document Type: Article

References (19)

1. Lipophilicity descriptors for structure-property correlation studies: Overview of experimental and theoretical methods and a benchmark of log P calculations
2. The future of log P calculation
3. Hydrophobicity of organic compounds: How to calculate it by personal computer