Intro Chemistry

logP
SDF file
H-bonds
Chemical groups
Some serine protease inhibitors








Info about logP





SDF File
Structure Data Format (SDF) files, also known as SD Files, are simple, ASCII text files. The format was originally developed and published by Molecular Design Limited (MDL).
Dalby, A., J.G. Nourse, W.D. Hounshell, A.K.I. Gushurst, D.L. Grier, B.A. Leland, J. Laufer (1992) Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited, J. Chem. Inf. Comput. Sci. 32:244-255.


You can get some more information here











Main H-bonds in proteins








Some chemical groups



Alkane
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Alkene
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Alkyne

Alcohol
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Aldehyde
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Amide
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Arene
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Halide


 Halogen: F, Cl, Br, I, At

Halide is a binary compound
one part is halogen atom
other part is an element
less electronetative


Ether
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Ester
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Ketone
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Carbonyl


Carboxyl



Amine


Amine
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Amine


Ammonium



Nitril
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Nitro

Organometallic


Cyanate


Thiocyanate


Imine


Imine


Imine


Imine


Phosphate


Peroxy


Pyridine



Sulfone



Sulfonic acid



Sulfoxide


Thiol





Some protease inhibitors



FXa inhibitor