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 |
Similarity 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.
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 |