Drug Information| Drug ID: | NPD8207 |
| Drug Name: | Dihydroxyacetone |
| Molecular Formula: | C3H6O3 |
| Canonical SMILES: | OCC(=O)CO |
| Standard InCHI: | InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 |
| Standard InCHIKey: | RXKJFZQQPQGTFL-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8207Similarity 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 | DIB010016 |
| DrugBank | DB01775 |
| ChEMBL | CHEMBL1229937 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 16016 |
| CAS Number | 96-26-4 |
| Molecular Weight | 90.03 |
| ALogP | -1.588 |
| MLogP | 1.46 |
| XLogP | -1.889 |
| HDA | 3 |
| HBD | 2 |
| Rotatable Bonds | 4 |
| TPSA | 57.53 |
| RO5 Violation | 0 |