Drug ID: | NPD2798 |
Drug Name: | Phenprocoumon |
Molecular Formula: | C18H16O3 |
Canonical SMILES: | CCC(c1c(O)oc2c(c1=O)cccc2)c1ccccc1 |
Standard InCHI: | InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,20H,2H2,1H3 |
Standard InCHIKey: | QNDUUBVQYBBRBW-UHFFFAOYSA-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