Drug ID: | NPD1471 |
Drug Name: | 2-Acetyl Furanonapthoquinone |
Molecular Formula: | C14H8O4 |
Canonical SMILES: | CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1 |
Standard InCHI: | InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3 |
Standard InCHIKey: | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
Max Developmental Stage: | Phase 3 |
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