Drug ID: | NPD230 |
Drug Name: | Propyl Gallate |
Molecular Formula: | C10H12O5 |
Canonical SMILES: | CCCOC(=O)c1cc(O)c(c(c1)O)O |
Standard InCHI: | InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 |
Standard InCHIKey: | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
Max Developmental Stage: | Phase 1 |
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