Drug Information| Drug ID: | NPD2486 |
| Drug Name: | Org-10490 |
| Molecular Formula: | C17H19NO |
| Canonical SMILES: | CN1CCc2ccccc2Oc2c(CC1)cccc2 |
| Standard InCHI: | InChI=1S/C17H19NO/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18/h2-9H,10-13H2,1H3 |
| Standard InCHIKey: | NREYMNFZCFNECP-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD2486Similarity 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 | DIB005642 |
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| CAS Number |
| Molecular Weight | 253.15 |
| ALogP | 0.4958 |
| MLogP | 3.11 |
| XLogP | 4.843 |
| HDA | 1 |
| HBD | 0 |
| Rotatable Bonds | 1 |
| TPSA | 12.47 |
| RO5 Violation | 0 |