Drug Information| Drug ID: | NPD8233 |
| Drug Name: | Tramiprosate |
| Molecular Formula: | C3H9NO3S |
| Canonical SMILES: | NCCCS(=O)(=O)O |
| Standard InCHI: | InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) |
| Standard InCHIKey: | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8233Similarity 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 | 0.6444 | NPC318523 |
| Remote Similarity | 0.6222 | NPC118187 |
| Remote Similarity | 0.6129 | NPC326253 |
| Remote Similarity | 0.575 | NPC251559 |
| Remote Similarity | 0.5652 | NPC228932 |
| Remote Similarity | 0.561 | NPC180872 |
| TTD | DIB002636 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 139.03 |
| ALogP | -1.5562 |
| MLogP | 1.24 |
| XLogP | -1.32 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 5 |
| TPSA | 88.77 |
| RO5 Violation | 0 |