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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)
444.49
LogP
-0.14
TPSA (Ų)
163.18
H-Donors
8
H-Acceptors
10
QED
0.139
Rotatable
12
Fraction Csp3
0.364
Arom. Rings
2
RO5 Violations
1
ESOL Log S
-3.2

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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