Drug Information| Drug ID: | NPD8828 |
| Drug Name: | Oxypurinol |
| Molecular Formula: | C5H4N4O2 |
| Canonical SMILES: | O=c1nc(O)c2c(n1)[nH][nH]c2 |
| Standard InCHI: | InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) |
| Standard InCHIKey: | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8828Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC326909 |
| Molecular Weight | 152.03 |
| ALogP | -2.1249 |
| MLogP | 1.35 |
| XLogP | -0.21 |
| HDA | 6 |
| HBD | 3 |
| Rotatable Bonds | 1 |
| TPSA | 86.08 |
| RO5 Violation | 0 |