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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)
565.72
LogP
5.56
TPSA (Ų)
115.62
H-Donors
4
H-Acceptors
7
QED
0.147
Rotatable
10
Fraction Csp3
0.364
Arom. Rings
4
RO5 Violations
2
ESOL Log S
-9.15

Structural Alerts 🔴

2 alert(s) found:
  • amino_acridine_A(46)
  • anil_no_alk(40)
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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