Drug ID: | NPD2696 |
Drug Name: | |
Molecular Formula: | C17H32NO2 |
Canonical SMILES: | CCCC(C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C)CCC |
Standard InCHI: | InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16? |
Standard InCHIKey: | XGGHHHBGPSNXFE-XYPWUTKMSA-N |
Max Developmental Stage: | Approved |
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