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)
410.35
LogP
4.0
TPSA (Ų)
120.36
H-Donors
4
H-Acceptors
7
QED
0.375
Rotatable
4
Fraction Csp3
0.045
Arom. Rings
4
RO5 Violations
0
ESOL Log S
-7.6

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 →