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)
400.44
LogP
3.44
TPSA (Ų)
77.32
H-Donors
0
H-Acceptors
6
QED
0.566
Rotatable
7
Fraction Csp3
0.13
Arom. Rings
3
RO5 Violations
0
ESOL Log S
-6.25

Structural Alerts 🔴

1 alert(s) found:
  • quinone_A(370)
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 →