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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)
439.47
LogP
3.79
TPSA (Ų)
149.46
H-Donors
2
H-Acceptors
8
QED
0.51
Rotatable
6
Fraction Csp3
0.455
Arom. Rings
2
RO5 Violations
0
ESOL Log S
-6.04

Structural Alerts 🔴

1 alert(s) found:
  • dhp_amino_CN_B(9)
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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