Drug Information| Drug ID: | NPD9388 |
| Drug Name: | |
| Molecular Formula: | C8H11NO5S |
| Canonical SMILES: | [O-]C(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C |
| Standard InCHI: | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1 |
| Standard InCHIKey: | FKENQMMABCRJMK-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9388Similarity 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 | 0.6667 | NPC117829 |
| Remote Similarity | 0.5918 | NPC144780 |
| Remote Similarity | 0.5811 | NPC102815 |
| TTD | DNAP001523 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 23691718 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 232.03 |
| ALogP | -1.3736 |
| MLogP | 1.57 |
| XLogP | -1.613 |
| HDA | 6 |
| HBD | 0 |
| Rotatable Bonds | 4 |
| TPSA | 102.96 |
| RO5 Violation | 0 |