Drug Information| Drug ID: | NPD8583 |
| Drug Name: | HD-003 |
| Molecular Formula: | C4H6N2O3 |
| Canonical SMILES: | OC1=NC(=O)N(C1O)C |
| Standard InCHI: | InChI=1S/C4H6N2O3/c1-6-3(8)2(7)5-4(6)9/h3,8H,1H3,(H,5,7,9) |
| Standard InCHIKey: | UPSFNXFLBMJUQW-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8583Similarity 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 |
|---|---|---|
| Remote Similarity | 0.66 | NPC27836 |
| Remote Similarity | 0.5652 | NPC325909 |
| Remote Similarity | 0.5636 | NPC153556 |
| Remote Similarity | 0.5636 | NPC141953 |
| TTD | DIB006760 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 130.04 |
| ALogP | -1.0646 |
| MLogP | 1.35 |
| XLogP | -0.881 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 3 |
| TPSA | 73.13 |
| RO5 Violation | 0 |