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)
WARN Borderline
Calculated Properties
MW (g/mol)
488.8
LogP
2.7
TPSA (Ų)
7.12
H-Donors
0
H-Acceptors
1
QED
0.406
Rotatable
3
Fraction Csp3
0.174
Arom. Rings
3
RO5 Violations
0
ESOL Log S
-6.59
Structural Alerts
2 alert(s) found:
- het_pyridiniums_A(39)
- dyes3A(19)
Batch Analysis (up to 100 compounds)
Click to expand
Calculate properties and assess drug-likeness for multiple SMILES at once.