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)
294.27
LogP
2.06
TPSA (Ų)
103.77
H-Donors
3
H-Acceptors
6
QED
0.464
Rotatable
1
Fraction Csp3
0.0
Arom. Rings
4
RO5 Violations
0
ESOL Log S
-5.86
Structural Alerts
1 alert(s) found:
- catechol_A(92)
Batch Analysis (up to 100 compounds)
Click to expand
Calculate properties and assess drug-likeness for multiple SMILES at once.