Drug Information| Drug ID: | NPD8968 |
| Drug Name: | caracemide |
| Molecular Formula: | C6H11N3O4 |
| Canonical SMILES: | CN=C(ON(C(=NC)O)C(=O)C)O |
| Standard InCHI: | InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12) |
| Standard InCHIKey: | JURAJLFHWXNPHG-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8968Similarity 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 | DIB002701 |
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| CAS Number |
| Molecular Weight | 189.07 |
| ALogP | -0.1869 |
| MLogP | 1.35 |
| XLogP | -0.051 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 9 |
| TPSA | 94.72 |
| RO5 Violation | 0 |