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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)
418.54
LogP
4.2
TPSA (Ų)
64.52
H-Donors
1
H-Acceptors
5
QED
0.556
Rotatable
8
Fraction Csp3
0.4
Arom. Rings
3
RO5 Violations
0
ESOL Log S
-6.77

Structural Alerts 🔴

1 alert(s) found:
  • anil_di_alk_C(246)
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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