Drug ID: | NPD8996 |
Drug Name: | Inositol |
Molecular Formula: | C6H12O6 |
Canonical SMILES: | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
Standard InCHIKey: | CDAISMWEOUEBRE-GPIVLXJGSA-N |
Max Developmental Stage: | Phase 3 |
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