Drug Information| Drug ID: | NPD9202 |
| Drug Name: | Paramethadione |
| Molecular Formula: | C7H11NO3 |
| Canonical SMILES: | CCC1(C)OC(=O)N(C1=O)C |
| Standard InCHI: | InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3 |
| Standard InCHIKey: | VQASKUSHBVDKGU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9202Similarity 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 | 0.6275 | NPC234196 |
| Remote Similarity | 0.6176 | NPC10716 |
| Remote Similarity | 0.6087 | NPC212866 |
| Remote Similarity | 0.6087 | NPC29598 |
| Remote Similarity | 0.5753 | NPC178919 |
| Remote Similarity | 0.5753 | NPC263281 |
| TTD | DAP001266 |
| DrugBank | DB00617 |
| ChEMBL | CHEMBL1100 |
| IUPHAR/BPS | 7261 |
| PharmaGKB | PA164748880 |
| KEGG Drug | D00495 |
| PubChem CID | 8280 |
| ChEBI | 7921 |
| CAS Number | 115-67-3 |
| Molecular Weight | 157.07 |
| ALogP | -0.1873 |
| MLogP | 1.79 |
| XLogP | 0.349 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 4 |
| TPSA | 46.61 |
| RO5 Violation | 0 |