Drug Information| Drug ID: | NPD9182 |
| Drug Name: | Ornidazole |
| Molecular Formula: | C7H10ClN3O3 |
| Canonical SMILES: | ClCC(Cn1c(C)ncc1N(=O)=O)O |
| Standard InCHI: | InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3 |
| Standard InCHIKey: | IPWKIXLWTCNBKN-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9182Similarity 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 | 0.8932 | NPC332382 |
| Remote Similarity | 0.6195 | NPC190949 |
| Remote Similarity | 0.576 | NPC273327 |
| TTD | DIB006238 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 219.04 |
| ALogP | 0.9814 |
| MLogP | 1.46 |
| XLogP | 0.819 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 8 |
| TPSA | 81.19 |
| RO5 Violation | 0 |