Drug Information| Drug ID: | NPD7349 |
| Drug Name: | Sodium Dichloroacetate |
| Molecular Formula: | C2H2Cl2O2.Na |
| Canonical SMILES: | ClC(C(=O)[O-])Cl.[Na+] |
| Standard InCHI: | InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1 |
| Standard InCHIKey: | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD7349Similarity 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 |
|---|---|---|
| High Similarity | 0.9167 | NPC278758 |
| Intermediate Similarity | 0.8333 | NPC158994 |
| Intermediate Similarity | 0.75 | NPC326511 |
| Remote Similarity | 0.6552 | NPC231957 |
| Remote Similarity | 0.64 | NPC328456 |
| Remote Similarity | 0.5769 | NPC158440 |