Drug Information| Drug ID: | NPD8572 |
| Drug Name: | |
| Molecular Formula: | C4H4N2O3 |
| Canonical SMILES: | OC1=NC(=O)N=C(C1)O |
| Standard InCHI: | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| Standard InCHIKey: | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8572Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7105 | NPC25237 |
| Remote Similarity | 0.6471 | NPC290188 |
| Remote Similarity | 0.625 | NPC150560 |
| Remote Similarity | 0.5952 | NPC33721 |
| Remote Similarity | 0.5641 | NPC145895 |
| Remote Similarity | 0.5625 | NPC87359 |
| Remote Similarity | 0.5625 | NPC180402 |
| TTD | DAP001351; DAP001459 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 6211 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 128.02 |
| ALogP | -1.0259 |
| MLogP | 1.35 |
| XLogP | -0.639 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 2 |
| TPSA | 82.25 |
| RO5 Violation | 0 |