Drug Information| Drug ID: | NPD9767 |
| Drug Name: | |
| Molecular Formula: | CH6N4 |
| Canonical SMILES: | NNC(=N)N |
| Standard InCHI: | InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5) |
| Standard InCHIKey: | HAMNKKUPIHEESI-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9767Similarity 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 | 0.6667 | NPC85098 |
| TTD | DIB007694; DCL000135; DNC000203 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 2146 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 74.06 |
| ALogP | -1.065 |
| MLogP | 1.13 |
| XLogP | -1.075 |
| HDA | 4 |
| HBD | 4 |
| Rotatable Bonds | 3 |
| TPSA | 87.92 |
| RO5 Violation | 0 |