Drug Information| Drug ID: | NPD3174 |
| Drug Name: | EF-13 |
| Molecular Formula: | C18H30O2 |
| Canonical SMILES: | CCCCC/C=CC/C=CC/C=CCCCCC(=O)[O-] |
| Standard InCHI: | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-,13-12- |
| Standard InCHIKey: | VZCCETWTMQHEPK-QNEBEIHSSA-M |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD3174Similarity 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 | DIB002022 |
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| CAS Number |
| Molecular Weight | 277.22 |
| ALogP | -0.2321 |
| MLogP | 3.22 |
| XLogP | 7.057 |
| HDA | 2 |
| HBD | 0 |
| Rotatable Bonds | 15 |
| TPSA | 40.13 |
| RO5 Violation | 2 |