Drug Information| Drug ID: | NPD2196 |
| Drug Name: | inaperisone |
| Molecular Formula: | C16H23NO |
| Canonical SMILES: | CCc1ccc(cc1)C(=O)C(CN1CCCC1)C |
| Standard InCHI: | InChI=1S/C16H23NO/c1-3-14-6-8-15(9-7-14)16(18)13(2)12-17-10-4-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3 |
| Standard InCHIKey: | VNFAARJCGSAROU-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD2196Similarity 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 | DIB011090 |
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| CAS Number |
| Molecular Weight | 245.18 |
| ALogP | -0.1901 |
| MLogP | 3 |
| XLogP | 4.305 |
| HDA | 2 |
| HBD | 0 |
| Rotatable Bonds | 7 |
| TPSA | 20.31 |
| RO5 Violation | 0 |