Drug Information| Drug ID: | NPD9297 |
| Drug Name: | AKP-020 |
| Molecular Formula: | C7H8O3 |
| Canonical SMILES: | CCc1occc(=O)c1[O-] |
| Standard InCHI: | InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3/p-1 |
| Standard InCHIKey: | YIKYNHJUKRTCJL-UHFFFAOYSA-M |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9297Similarity 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 | DIB000265 |
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| CAS Number |
| Molecular Weight | 139.04 |
| ALogP | -2.0344 |
| MLogP | 1.9 |
| XLogP | 1.16 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 3 |
| TPSA | 49.36 |
| RO5 Violation | 0 |