Drug Information| Drug ID: | NPD57 |
| Drug Name: | Amyl Nitrite |
| Molecular Formula: | 2C5H11NO2 |
| Canonical SMILES: | CC(CC)CON=O.CC(CCON=O)C |
| Standard InCHI: | InChI=1S/2C5H11NO2/c1-5(2)3-4-8-6-7;1-3-5(2)4-8-6-7/h2*5H,3-4H2,1-2H3 |
| Standard InCHIKey: | XNCKCDBPEMSUFA-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD57Similarity 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 | NPC190117 |
| High Similarity | 0.9167 | NPC84750 |
| Remote Similarity | 0.6429 | NPC256186 |
| Remote Similarity | 0.6429 | NPC23071 |
| Remote Similarity | 0.6129 | NPC281943 |
| Remote Similarity | 0.6129 | NPC317739 |
| Remote Similarity | 0.5862 | NPC87529 |
| Remote Similarity | 0.5806 | NPC39869 |
| Remote Similarity | 0.5806 | NPC276332 |
| Remote Similarity | 0.5758 | NPC21374 |
| Remote Similarity | 0.5714 | NPC88839 |
| Remote Similarity | 0.5667 | NPC304927 |
| Remote Similarity | 0.5667 | NPC190797 |
| Remote Similarity | 0.5667 | NPC289974 |