Drug ID: | NPD9076 |
Drug Name: | |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | OCc1ccc(cn1)Br |
Standard InCHI: | InChI=1S/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2 |
Standard InCHIKey: | RUCZFWMEACWFER-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