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)
302.37
LogP
3.57
TPSA (Ų)
80.92
H-Donors
4
H-Acceptors
4
QED
0.637
Rotatable
5
Fraction Csp3
0.333
Arom. Rings
2
RO5 Violations
0
ESOL Log S
-5.11
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.