Drug ID: | NPD8599 |
Drug Name: | Aluminium Acetotartrate |
Molecular Formula: | C4H6O6.C2H4O2.Al |
Canonical SMILES: | OC(C(C(=O)[O-])O)C(=O)[O-].[O-]C(=O)C.[Al+3] |
Standard InCHI: | InChI=1S/C4H6O6.C2H4O2.Al/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+3/p-3 |
Standard InCHIKey: | KQVRYPWCDUCYPZ-UHFFFAOYSA-K |
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