Drug Information| Drug ID: | NPD7375 |
| Drug Name: | Mesna |
| Molecular Formula: | C2H6O3S2.Na |
| Canonical SMILES: | SCCS(=O)(=O)[O-].[Na+] |
| Standard InCHI: | InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1 |
| Standard InCHIKey: | XOGTZOOQQBDUSI-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD7375Similarity 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 | 0.6522 | NPC326758 |
| Remote Similarity | 0.6522 | NPC476548 |
| Remote Similarity | 0.6087 | NPC476549 |
| Remote Similarity | 0.6 | NPC476550 |
| Remote Similarity | 0.5667 | NPC300059 |
| TTD | |
| DrugBank | DB09110 |
| ChEMBL | CHEMBL1098319 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 17905 |
| CAS Number | 3375-50-6 |
| Molecular Weight | 140.97 |
| ALogP | -0.6851 |
| MLogP | 1.13 |
| XLogP | -0.23 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 4 |
| TPSA | 104.38 |
| RO5 Violation | 0 |