PocketChem

PocketChem is a full-featured molecular calculation app for chemists, pharmaceutical researchers, and students.

Simply enter a compound name or SMILES string to instantly calculate key physical properties and compare the similarity of molecules.

[Main Features]


Search for molecules by compound name or SMILES string and calculate the following physical properties:

• Molecular Weight (MW)

• Lipid Solubility (LogP)

• Polar Surface Area (TPSA)

• Number of Rotatable Bonds

• Lipinski Rule of Five Compliance Check


Calculate the structural similarity of two molecules using Morgan fingerprints.
Useful for compound screening in drug discovery research.


Perform a substructure search in SMILES or SMARTS format and highlight matching atoms.


Searches for the maximum common substructure between two molecules and visualizes it with a highlighted image.


Checks whether a compound is a PAINS (Pan-Assay Interference Compound).
This allows for the detection of false positives in drug screening.


Save your favorite compounds locally and refer to them anytime.
Saved data is stored only on the device and is not transmitted externally.

[Notes]
The calculation results of this application are for reference only.
We recommend consulting with a professional for important research and business decisions.