Drug Information| Drug ID: | NPD2157 |
| Drug Name: | Ramelteon |
| Molecular Formula: | C16H21NO2 |
| Canonical SMILES: | CCC(=NCC[C@@H]1CCc2c1c1CCOc1cc2)O |
| Standard InCHI: | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 |
| Standard InCHIKey: | YLXDSYKOBKBWJQ-LBPRGKRZSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD2157Similarity 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.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DAP000070 |
| DrugBank | DB00980 |
| ChEMBL | CHEMBL1218 |
| IUPHAR/BPS | 1356 |
| PharmaGKB | PA164744896 |
| KEGG Drug | |
| PubChem CID | 208902 |
| ChEBI | 109549 |
| CAS Number | 196597-26-9 |
| Molecular Weight | 259.16 |
| ALogP | -0.3711 |
| MLogP | 2.89 |
| XLogP | 3.467 |
| HDA | 2 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 41.82 |
| RO5 Violation | 0 |