Drug Information| Drug ID: | NPD9227 |
| Drug Name: | milacemide |
| Molecular Formula: | C7H16N2O |
| Canonical SMILES: | CCCCCNCC(=N)O |
| Standard InCHI: | InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10) |
| Standard InCHIKey: | GJNNXIYZWIZFRH-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9227Similarity 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 | DIB015084 |
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| Molecular Weight | 144.13 |
| ALogP | -1.5049 |
| MLogP | 1.9 |
| XLogP | 1.531 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 56.11 |
| RO5 Violation | 0 |