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)
548.73
LogP
3.93
TPSA (Ų)
83.14
H-Donors
2
H-Acceptors
8
QED
0.214
Rotatable
18
Fraction Csp3
0.438
Arom. Rings
2
RO5 Violations
1
ESOL Log S
-6.01

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 →