Drug Information| Drug ID: | NPD8586 |
| Drug Name: | Erythrityl Tetranitrate |
| Molecular Formula: | C4H6N4O12 |
| Canonical SMILES: | O=N(=O)O[C@H]([C@H](ON(=O)=O)CON(=O)=O)CON(=O)=O |
| Standard InCHI: | InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+ |
| Standard InCHIKey: | SNFOERUNNSHUGP-ZXZARUISSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8586Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6429 | NPC85078 |
| Remote Similarity | 0.5882 | NPC301586 |
| Remote Similarity | 0.5882 | NPC33415 |
| Remote Similarity | 0.5758 | NPC190117 |
| Remote Similarity | 0.5625 | NPC84750 |
| TTD | DAP001060 |
| DrugBank | DB01613 |
| ChEMBL | CHEMBL2107583 |
| IUPHAR/BPS | |
| PharmaGKB | PA164746528 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 60072 |
| CAS Number | 7297-25-8 |
| Molecular Weight | 302.00 |
| ALogP | -0.1344 |
| MLogP | 0.14 |
| XLogP | 1.256 |
| HDA | 0 |
| HBD | 0 |
| Rotatable Bonds | 11 |
| TPSA | 220.2 |
| RO5 Violation | 1 |