Drug Information| Drug ID: | NPD7380 |
| Drug Name: | Taurine |
| Molecular Formula: | C2H7NO3S |
| Canonical SMILES: | NCCS(=O)(=O)O |
| Standard InCHI: | InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) |
| Standard InCHIKey: | XOAAWQZATWQOTB-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD7380Similarity 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 | NPC300059 |
| High Similarity | 0.9643 | NPC322658 |
| Remote Similarity | 0.6552 | NPC326253 |
| Remote Similarity | 0.6364 | NPC318523 |
| Remote Similarity | 0.6136 | NPC118187 |
| TTD | |
| DrugBank | DB01956 |
| ChEMBL | CHEMBL239243 |
| IUPHAR/BPS | |
| PharmaGKB | PA451590 |
| KEGG Drug | D00047 |
| PubChem CID | |
| ChEBI | 507393 |
| CAS Number | 107-35-7 |
| Molecular Weight | 125.01 |
| ALogP | -1.2682 |
| MLogP | 1.13 |
| XLogP | -1.678 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 4 |
| TPSA | 88.77 |
| RO5 Violation | 0 |