Drug Information| Drug ID: | NPD9138 |
| Drug Name: | Trimethadione |
| Molecular Formula: | C6H9NO3 |
| Canonical SMILES: | O=C1OC(C(=O)N1C)(C)C |
| Standard InCHI: | InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3 |
| Standard InCHIKey: | IRYJRGCIQBGHIV-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9138Similarity 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 | 0.6 | NPC234196 |
| Remote Similarity | 0.5735 | NPC10716 |
| Remote Similarity | 0.5652 | NPC29598 |
| Remote Similarity | 0.5652 | NPC212866 |
| Molecular Weight | 143.06 |
| ALogP | 0.4889 |
| MLogP | 1.68 |
| XLogP | -0.009 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 3 |
| TPSA | 46.61 |
| RO5 Violation | 0 |