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)
413.43
LogP
4.42
TPSA (Ų)
105.31
H-Donors
2
H-Acceptors
4
QED
0.485
Rotatable
6
Fraction Csp3
0.167
Arom. Rings
4
RO5 Violations
0
ESOL Log S
-7.75

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 →