Skip to main content
Free research Free research Free compound profiler with research home and workspace preview
Quick search ChEMBL 36

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)
403.83
LogP
4.37
TPSA (Ų)
85.32
H-Donors
1
H-Acceptors
5
QED
0.481
Rotatable
4
Fraction Csp3
0.048
Arom. Rings
5
RO5 Violations
0
ESOL Log S
-8.53

Structural Alerts 🟢

No PAINS (Pan Assay Interference Compounds) alerts detected. This structure is safe.
Batch Analysis (up to 100 compounds)
Click to expand

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

Search ChEMBL activity data for this compound →