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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)
422.44
LogP
-0.3
TPSA (Ų)
129.39
H-Donors
2
H-Acceptors
7
QED
0.337
Rotatable
3
Fraction Csp3
0.3
Arom. Rings
2
RO5 Violations
0
ESOL Log S
-3.55

Structural Alerts 🔴

2 alert(s) found:
  • quinone_A(370)
  • anthranil_one_A(38)
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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