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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)
449.45
LogP
1.6
TPSA (Ų)
131.13
H-Donors
3
H-Acceptors
8
QED
0.405
Rotatable
6
Fraction Csp3
0.238
Arom. Rings
4
RO5 Violations
0
ESOL Log S
-6.2

Structural Alerts 🔴

1 alert(s) found:
  • het_6_tetrazine(18)
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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