Drug ID: | NPD857 |
Drug Name: | Mirogabalin |
Molecular Formula: | C12H19NO2 |
Canonical SMILES: | CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O |
Standard InCHI: | InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1 |
Standard InCHIKey: | FTBQORVNHOIASH-CKYFFXLPSA-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