Drug ID: | NPD648 |
Drug Name: | |
Molecular Formula: | C11H8ClNO4 |
Canonical SMILES: | COC(=O)c1c(O)nc2c(c1O)ccc(c2)Cl |
Standard InCHI: | InChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15) |
Standard InCHIKey: | GEUWRNTWGHPTPU-UHFFFAOYSA-N |
Max Developmental Stage: | Clinical (unspecified phase) |
Max Developmental Stage Source: | TTD |
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