Compound Profiler

Assess drug-likeness with Lipinski Ro5, QED score, PAINS structural alerts, and a 6-axis bioavailability radar. Supports single and batch analysis up to 100 compounds.

Example: CC(=O)Oc1ccccc1C(=O)O (Aspirin)

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

WARN Borderline

Calculated Properties

MW (g/mol)

312.48

LogP

5.02

TPSA (Å²)

6.48

H-Donors

H-Acceptors

QED

0.765

Rotatable

Fraction Csp3

0.368

Arom. Rings

RO5 Violations

ESOL Log S

-6.09

Structural Alerts 🔴

1 alert(s) found:

het_thio_666_A(13)

Batch Analysis (up to 100 compounds)

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Calculate properties and assess drug-likeness for multiple SMILES at once.

Search ChEMBL activity data for this compound →