Drug Information| Drug ID: | NPD9059 |
| Drug Name: | Buformin |
| Molecular Formula: | C6H15N5 |
| Canonical SMILES: | CCCCNC(=N)NC(=N)N |
| Standard InCHI: | InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) |
| Standard InCHIKey: | XSEUMFJMFFMCIU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9059Similarity 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
| TTD | |
| DrugBank | DB04830 |
| ChEMBL | CHEMBL39736 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | D00595 |
| PubChem CID | |
| ChEBI | 3209 |
| CAS Number | 692-13-7 |
| Molecular Weight | 157.13 |
| ALogP | -0.9408 |
| MLogP | 1.57 |
| XLogP | 1.345 |
| HDA | 5 |
| HBD | 5 |
| Rotatable Bonds | 8 |
| TPSA | 97.78 |
| RO5 Violation | 0 |