Drug Information| Drug ID: | NPD7361 |
| Drug Name: | HPH-116 |
| Molecular Formula: | C2H4N4O2 |
| Canonical SMILES: | OC(=N)/N=NC(=N)O |
| Standard InCHI: | InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5- |
| Standard InCHIKey: | XOZUGNYVDXMRKW-WAYWQWQTSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD7361Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7 | NPC142330 |
| TTD | DIB014336 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 116.03 |
| ALogP | -0.149 |
| MLogP | 1.02 |
| XLogP | 0.62 |
| HDA | 6 |
| HBD | 4 |
| Rotatable Bonds | 4 |
| TPSA | 112.88 |
| RO5 Violation | 0 |