Drug Information| Drug ID: | NPD8620 |
| Drug Name: | NVC-422 (lavage solution, urinary tract infections), NovaBay |
| Molecular Formula: | C4H9Cl2NO3S |
| Canonical SMILES: | ClN(C(CS(=O)(=O)O)(C)C)Cl |
| Standard InCHI: | InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10) |
| Standard InCHIKey: | QYNRGGHZWCUZLK-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8620Similarity 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 |
|---|---|---|
| Remote Similarity | 0.5789 | NPC300059 |
| TTD | DIB004633 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 220.97 |
| ALogP | 1.1448 |
| MLogP | 1.13 |
| XLogP | 1.053 |
| HDA | 4 |
| HBD | 1 |
| Rotatable Bonds | 8 |
| TPSA | 65.99 |
| RO5 Violation | 0 |