Drug Information| Drug ID: | NPD1245 |
| Drug Name: | Suprofen |
| Molecular Formula: | C14H12O3S |
| Canonical SMILES: | OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C |
| Standard InCHI: | InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) |
| Standard InCHIKey: | MDKGKXOCJGEUJW-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD1245Similarity 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 | 260.05 |
| ALogP | 0.3818 |
| MLogP | 2.56 |
| XLogP | 3.678 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 82.61 |
| RO5 Violation | 0 |