Drug Information| Drug ID: | NPD8587 |
| Drug Name: | |
| Molecular Formula: | C4H6N4O3 |
| Canonical SMILES: | OC(=N)NC1N=C(N=C1O)O |
| Standard InCHI: | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) |
| Standard InCHIKey: | POJWUDADGALRAB-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8587Similarity 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 | NPC141953 |
| High Similarity | 1.0 | NPC153556 |
| Intermediate Similarity | 0.8 | NPC27836 |
| Remote Similarity | 0.64 | NPC40511 |
| Remote Similarity | 0.5849 | NPC195448 |
| TTD | DNAP001615 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 204 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 158.04 |
| ALogP | -0.2279 |
| MLogP | 1.13 |
| XLogP | -0.469 |
| HDA | 7 |
| HBD | 5 |
| Rotatable Bonds | 5 |
| TPSA | 121.29 |
| RO5 Violation | 0 |