Drug Information| Drug ID: | NPD9285 |
| Drug Name: | Pralidoxime |
| Molecular Formula: | C7H8N2O |
| Canonical SMILES: | O=[NH+]C=c1ccccn1C |
| Standard InCHI: | InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1 |
| Standard InCHIKey: | JBKPUQTUERUYQE-UHFFFAOYSA-O |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9285Similarity 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 | NPC250999 |
| Remote Similarity | 0.5769 | NPC57565 |
| Remote Similarity | 0.5763 | NPC39250 |
| TTD | |
| DrugBank | DB00733 |
| ChEMBL | CHEMBL1420 |
| IUPHAR/BPS | 7597 |
| PharmaGKB | PA164744926 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 8354 |
| CAS Number | 6735-59-7 |
| Molecular Weight | 137.07 |
| ALogP | -0.9169 |
| MLogP | 1.9 |
| XLogP | 0.688 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 2 |
| TPSA | 34.28 |
| RO5 Violation | 0 |