Drug Information| Drug ID: | NPD8797 |
| Drug Name: | Amyl Nitrite |
| Molecular Formula: | C5H11NO2 |
| Canonical SMILES: | CCCCCON=O |
| Standard InCHI: | InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 |
| Standard InCHIKey: | CSDTZUBPSYWZDX-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8797Similarity 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 | 0.8077 | NPC190117 |
| Intermediate Similarity | 0.8 | NPC84750 |
| Remote Similarity | 0.6296 | NPC52403 |
| Remote Similarity | 0.6207 | NPC474048 |
| Remote Similarity | 0.6071 | NPC199270 |
| Remote Similarity | 0.6 | NPC248233 |
| Remote Similarity | 0.5862 | NPC275462 |
| Remote Similarity | 0.5862 | NPC213764 |
| Remote Similarity | 0.5806 | NPC159398 |
| Remote Similarity | 0.5667 | NPC560 |
| TTD | DIB014525 |
| DrugBank | DB01612 |
| ChEMBL | CHEMBL3188202 |
| IUPHAR/BPS | |
| PharmaGKB | PA164750570 |
| KEGG Drug | D00517 |
| PubChem CID | 10026 |
| ChEBI | 55344 |
| CAS Number | 8017-89-8 |
| Molecular Weight | 117.08 |
| ALogP | -2.8505 |
| MLogP | 1.68 |
| XLogP | 2.771 |
| HDA | 0 |
| HBD | 0 |
| Rotatable Bonds | 6 |
| TPSA | 38.66 |
| RO5 Violation | 0 |