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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)
256.21
LogP
1.58
TPSA (Ų)
94.83
H-Donors
3
H-Acceptors
5
QED
0.419
Rotatable
0
Fraction Csp3
0.0
Arom. Rings
2
RO5 Violations
0
ESOL Log S
-3.9

Structural Alerts 🔴

2 alert(s) found:
  • quinone_A(370)
  • catechol_A(92)
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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