Drug ID: | NPD1358 |
Drug Name: | Cinoxate |
Molecular Formula: | C14H18O4 |
Canonical SMILES: | CCOCCOC(=O)/C=C/c1ccc(cc1)OC |
Standard InCHI: | InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+ |
Standard InCHIKey: | CMDKPGRTAQVGFQ-RMKNXTFCSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | ChEMBL |
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