Drug Information| Drug ID: | NPD9101 |
| Drug Name: | pyrazinoylguanidine |
| Molecular Formula: | C6H7N5O |
| Canonical SMILES: | NC(=N)N=C(c1cnccn1)O |
| Standard InCHI: | InChI=1S/C6H7N5O/c7-6(8)11-5(12)4-3-9-1-2-10-4/h1-3H,(H4,7,8,11,12) |
| Standard InCHIKey: | WNBSDCKJFDZMHT-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9101Similarity 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 | DIB016590 |
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| CAS Number |
| Molecular Weight | 165.07 |
| ALogP | -0.686 |
| MLogP | 1.46 |
| XLogP | -0.884 |
| HDA | 6 |
| HBD | 3 |
| Rotatable Bonds | 4 |
| TPSA | 108.24 |
| RO5 Violation | 0 |