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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)
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Calculated Properties

MW (g/mol)
397.26
LogP
5.84
TPSA (Ų)
46.53
H-Donors
1
H-Acceptors
3
QED
0.462
Rotatable
2
Fraction Csp3
0.045
Arom. Rings
3
RO5 Violations
1
ESOL Log S
-8.07

Structural Alerts 🔴

1 alert(s) found:
  • ene_quin_methide(10)
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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