Drug Information| Drug ID: | NPD7372 |
| Drug Name: | N-chlorotaurine (antimicrobial/ infections/ sinusitis), Pathogenics |
| Molecular Formula: | C2H6ClNO3S |
| Canonical SMILES: | ClNCCS(=O)(=O)O |
| Standard InCHI: | InChI=1S/C2H6ClNO3S/c3-4-1-2-8(5,6)7/h4H,1-2H2,(H,5,6,7) |
| Standard InCHIKey: | NMMHHSLZJLPMEG-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD7372Similarity 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 | 0.9333 | NPC300059 |
| High Similarity | 0.9 | NPC322658 |
| Remote Similarity | 0.6129 | NPC326253 |
| Remote Similarity | 0.6087 | NPC318523 |
| Remote Similarity | 0.587 | NPC118187 |
| TTD | DIB012336 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 158.98 |
| ALogP | -0.1944 |
| MLogP | 1.02 |
| XLogP | -0.744 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 5 |
| TPSA | 74.78 |
| RO5 Violation | 0 |