Drug ID: | NPD955 |
Drug Name: | Phenyl Aminosalicylate |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | Nc1ccc(c(c1)O)C(=O)Oc1ccccc1 |
Standard InCHI: | InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2 |
Standard InCHIKey: | DNVVZWSVACQWJE-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