Drug Information| Drug ID: | NPD1778 |
| Drug Name: | Gemfibrozil |
| Molecular Formula: | C15H22O3 |
| Canonical SMILES: | Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C |
| Standard InCHI: | InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) |
| Standard InCHIKey: | HEMJJKBWTPKOJG-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD1778Similarity 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
| Molecular Weight | 250.16 |
| ALogP | 1.5903 |
| MLogP | 2.78 |
| XLogP | 3.748 |
| HDA | 2 |
| HBD | 1 |
| Rotatable Bonds | 11 |
| TPSA | 46.53 |
| RO5 Violation | 0 |