Task tutorial
Check basic drug-likeness indicators for one molecule
Use the local browser analysis to inspect molecular weight, LogP, TPSA, hydrogen-bond counts, Lipinski, and PAINS output for one input.
You will make
A traceable first-pass property check that keeps the input SMILES with the displayed indicators.
Steps
- Open the browser molecular analysis page.
- Analyze a complete SMILES such as aspirin or CCO.
- Read the molecular weight, LogP, TPSA, HBD, HBA, Lipinski, and PAINS fields, then save them with the exact input.
CC(=O)OC1=CC=CC=C1C(=O)OExpected result
The result panel shows calculated descriptors, a basic Lipinski status, and PAINS output for the parsed molecule.
If it does not work
These indicators are a first-pass calculation, not a decision about efficacy, toxicity, regulatory status, or clinical suitability. Record the software version and settings before comparing runs.