Drug Information| Drug ID: | NPD9765 |
| Drug Name: | Guanidine |
| Molecular Formula: | CH5N3 |
| Canonical SMILES: | NC(=N)N |
| Standard InCHI: | InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) |
| Standard InCHIKey: | ZRALSGWEFCBTJO-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9765Similarity 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
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC20535 |
| Intermediate Similarity | 0.7143 | NPC162045 |
| Remote Similarity | 0.6667 | NPC142330 |
| TTD | |
| DrugBank | DB00536 |
| ChEMBL | CHEMBL821 |
| IUPHAR/BPS | 4783 |
| PharmaGKB | PA164781028 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 42820 |
| CAS Number | 113-00-8 |
| Molecular Weight | 59.05 |
| ALogP | -0.4695 |
| MLogP | 1.24 |
| XLogP | -0.646 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 2 |
| TPSA | 75.89 |
| RO5 Violation | 0 |