Drug Information| Drug ID: | NPD8841 |
| Drug Name: | Dalfampridine |
| Molecular Formula: | C5H6N2 |
| Canonical SMILES: | N=c1cc[nH]cc1 |
| Standard InCHI: | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) |
| Standard InCHIKey: | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD8841Similarity 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 | NPC57565 |
| Remote Similarity | 0.68 | NPC230087 |
| Remote Similarity | 0.6458 | NPC305607 |
| Remote Similarity | 0.6038 | NPC212436 |
| TTD | DAP001551; DNC000635; DCL000671 |
| DrugBank | DB06637 |
| ChEMBL | CHEMBL284348 |
| IUPHAR/BPS | 2416 |
| PharmaGKB | |
| KEGG Drug | D04127 |
| PubChem CID | 1727 |
| ChEBI | 34385 |
| CAS Number | 504-24-5 |
| Molecular Weight | 94.05 |
| ALogP | -0.8458 |
| MLogP | 1.79 |
| XLogP | 0.839 |
| HDA | 2 |
| HBD | 2 |
| Rotatable Bonds | 0 |
| TPSA | 35.88 |
| RO5 Violation | 0 |