Drug Information| Drug ID: | NPD8552 |
| Drug Name: | |
| Molecular Formula: | C4H10O6S4 |
| Canonical SMILES: | [O-]S(=O)(=O)CCSSCCS(=O)(=O)[O-] |
| Standard InCHI: | InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)/p-2 |
| Standard InCHIKey: | BYUKOOOZTSTOOH-UHFFFAOYSA-L |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8552Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7083 | NPC476548 |
| Intermediate Similarity | 0.7083 | NPC326758 |
| Remote Similarity | 0.6667 | NPC476549 |
| Remote Similarity | 0.6538 | NPC476550 |
| Remote Similarity | 0.5862 | NPC2088 |
| Remote Similarity | 0.5833 | NPC239277 |
| Remote Similarity | 0.5667 | NPC46648 |
| TTD | DNCL002775 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 65625 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 279.92 |
| ALogP | -1.211 |
| MLogP | 0.8 |
| XLogP | -0.788 |
| HDA | 6 |
| HBD | 0 |
| Rotatable Bonds | 9 |
| TPSA | 181.76 |
| RO5 Violation | 0 |