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
BAD Poor

Calculated Properties

MW (g/mol)
489.59
LogP
5.78
TPSA (Ų)
90.23
H-Donors
3
H-Acceptors
7
QED
0.225
Rotatable
7
Fraction Csp3
0.25
Arom. Rings
4
RO5 Violations
1
ESOL Log S
-9.02

Structural Alerts 🔴

1 alert(s) found:
  • catechol_A(92)
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 →