Drug Information| Drug ID: | NPD8621 |
| Drug Name: | Creatine |
| Molecular Formula: | C4H9N3O2 |
| Canonical SMILES: | OC(=O)CN(C(=N)N)C |
| Standard InCHI: | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) |
| Standard InCHIKey: | CVSVTCORWBXHQV-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8621Similarity 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 | DIB014044 |
| DrugBank | DB00148 |
| ChEMBL | CHEMBL283800 |
| IUPHAR/BPS | |
| PharmaGKB | PA164778930 |
| KEGG Drug | |
| PubChem CID | 586 |
| ChEBI | 57947 |
| CAS Number | 57-00-1 |
| Molecular Weight | 131.07 |
| ALogP | -0.8088 |
| MLogP | 1.35 |
| XLogP | -2.404 |
| HDA | 5 |
| HBD | 3 |
| Rotatable Bonds | 6 |
| TPSA | 90.41 |
| RO5 Violation | 0 |