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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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BAD Poor

Calculated Properties

MW (g/mol)
475.57
LogP
3.31
TPSA (Ų)
97.27
H-Donors
3
H-Acceptors
5
QED
0.355
Rotatable
4
Fraction Csp3
0.28
Arom. Rings
2
RO5 Violations
0
ESOL Log S
-6.09

Structural Alerts 🔴

1 alert(s) found:
  • ene_five_het_A(201)
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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