Drug Information| Drug ID: | NPD8970 |
| Drug Name: | |
| Molecular Formula: | C6H11NO |
| Canonical SMILES: | COC(C[N+]#[C-])(C)C |
| Standard InCHI: | InChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3 |
| Standard InCHIKey: | LJJFNFYPZOHRHM-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8970Similarity 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 | 0.6538 | NPC328688 |
| Remote Similarity | 0.6 | NPC58351 |
| Remote Similarity | 0.5758 | NPC136014 |
| TTD | DIB003738 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 113.08 |
| ALogP | -0.89 |
| MLogP | 1.9 |
| XLogP | 0.489 |
| HDA | 1 |
| HBD | 0 |
| Rotatable Bonds | 5 |
| TPSA | 13.59 |
| RO5 Violation | 0 |