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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.
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Calculated Properties

MW (g/mol)
451.55
LogP
4.98
TPSA (Ų)
83.29
H-Donors
2
H-Acceptors
6
QED
0.447
Rotatable
9
Fraction Csp3
0.4
Arom. Rings
3
RO5 Violations
0
ESOL Log S
-7.4

Structural Alerts 🟢

No PAINS (Pan Assay Interference Compounds) alerts detected. This structure is safe.
Batch Analysis (up to 100 compounds)
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Calculate properties and assess drug-likeness for multiple SMILES at once.

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