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| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | C5H10O5 | — | pubchem |
| Molecular weight | 150.13 | g/mol | chembl |
| 150.13 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | -2.58 | — | chembl |
| XLogP | -2.5 | — | pubchem |
| MolLogP (Crippen) | -2.582 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 5 | — | chembl |
| 5 | — | pubchem | |
| H-bond donors | 4 | — | chembl |
| 4 | — | pubchem | |
| Lipinski violations | 0 | — | chembl |
| 0 | — | rdkit | |
| Passes rule of 3 | N | — | chembl |
| Rotatable bonds | 0 | — | chembl |
| 0 | — | pubchem | |
| Polar surface area (TPSA) | 90.15 | Ų | chembl |
| 90.2 | Ų | pubchem | |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.304 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 1 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 117 | — | pubchem |
| Heavy atom count | 10 | — | pubchem |
| Molar refractivity | 29.98 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 57.48 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 1 | — | rdkit |
| Total rings | 1 | — | rdkit |
| Heteroatoms | 5 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Alcohol | — | rdkit |
The structural core without substituents — useful for comparing chemical families and structure-activity relationships.