Drug ID: | NPD2232 |
Drug Name: | Tramadol |
Molecular Formula: | C16H25NO2 |
Canonical SMILES: | COc1cccc(c1)C1(O)CCCCC1CN(C)C |
Standard InCHI: | InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 |
Standard InCHIKey: | TVYLLZQTGLZFBW-UHFFFAOYSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
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