Drug Information| Drug ID: | NPD8190 |
| Drug Name: | sodium pyruvate (inhaled), EmphyCorp |
| Molecular Formula: | C3H4O3 |
| Canonical SMILES: | CC(=O)C(=O)[O-] |
| Standard InCHI: | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 |
| Standard InCHIKey: | LCTONWCANYUPML-UHFFFAOYSA-M |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8190Similarity 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 | DIB003667 |
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| CAS Number |
| Molecular Weight | 87.01 |
| ALogP | -1.1715 |
| MLogP | 1.46 |
| XLogP | -0.907 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 3 |
| TPSA | 57.2 |
| RO5 Violation | 0 |