Drug Information| Drug ID: | NPD9135 |
| Drug Name: | Metronidazole |
| Molecular Formula: | C6H9N3O3 |
| Canonical SMILES: | OCCn1c(C)ncc1N(=O)=O |
| Standard InCHI: | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| Standard InCHIKey: | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9135Similarity 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 | 1.0 | NPC332382 |
| Remote Similarity | 0.6863 | NPC190949 |
| Remote Similarity | 0.6176 | NPC237936 |
| Remote Similarity | 0.6034 | NPC273327 |
| Remote Similarity | 0.5812 | NPC326248 |
| Remote Similarity | 0.5812 | NPC187191 |
| Remote Similarity | 0.576 | NPC63433 |
| Remote Similarity | 0.568 | NPC313547 |
| Remote Similarity | 0.5652 | NPC9639 |
| Remote Similarity | 0.5649 | NPC109322 |
| Remote Similarity | 0.562 | NPC119133 |
| Molecular Weight | 171.06 |
| ALogP | 0.2875 |
| MLogP | 1.46 |
| XLogP | 0.017 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 81.19 |
| RO5 Violation | 0 |