Drug Information| Drug ID: | NPD9414 |
| Drug Name: | Tinidazole |
| Molecular Formula: | C8H13N3O4S |
| Canonical SMILES: | CCS(=O)(=O)CCn1c(C)ncc1N(=O)=O |
| Standard InCHI: | InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3 |
| Standard InCHIKey: | HJLSLZFTEKNLFI-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9414Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.783 | NPC332382 |
| Remote Similarity | 0.6542 | NPC190949 |
| Remote Similarity | 0.5888 | NPC237936 |
| Molecular Weight | 247.06 |
| ALogP | 0.6753 |
| MLogP | 1.46 |
| XLogP | 0.899 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 8 |
| TPSA | 103.48 |
| RO5 Violation | 0 |