Drug ID: | NPD585 |
Drug Name: | |
Molecular Formula: | C11H16O4 |
Canonical SMILES: | C=C[C@H]([C@@H]1O[C@H]1/C=C/C1O[C@H]1[C@H](O)C)O |
Standard InCHI: | InChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7-,8?,9+,10+,11+/m1/s1 |
Standard InCHIKey: | DLVJMFOLJOOWFS-LMSNBXBHSA-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