Drew, Kurt L. M. published the artcileSize estimation of chemical space: how big is it?, Product Details of C25H47NO8, the publication is Journal of Pharmacy and Pharmacology (2012), 64(4), 490-495, database is CAplus and MEDLINE.
To estimate the size of organic chem. space and its sub-regions, i.e. drug-like chem. space and known drug space (KDS), anal. of the growth of organic compounds as a function of their carbon atoms based on a power function (f(x) = A × B, C = x) and an exponential function (f(x) = AeBx) was carried out. Also, the statistical distribution of KDS and drug-like chem. space (drugs with good oral-bioavailability) based on their carbon atom count was used to deduce their size. Key findings The power function (f(x) = A × B, C = x) gives a superior fit to the growth of organic compounds leading to an estimate of 3.4 × 109 populating chem. space. KDS is predicted to be 2.0 × 106 mols. and drug-like chem. space is calculated to be 1.1 × 106 compounds The results showed that the values here are much smaller than previously reported. However, the numbers are large but not astronomical. A clear rationale on how we reach these numbers is given, which hopefully will lead to more refined predictions.
Journal of Pharmacy and Pharmacology published new progress about 58551-69-2. 58551-69-2 belongs to alcohols-buliding-blocks, auxiliary class Chiral,Alkenyl,Amine,Aliphatic cyclic hydrocarbon,Ester,Alcohol,Inhibitor,, name is 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, and the molecular formula is C25H47NO8, Product Details of C25H47NO8.
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