Drug Information| Drug ID: | NPD9464 |
| Drug Name: | echothiophate |
| Molecular Formula: | C8H21NO3PS |
| Canonical SMILES: | CCOP(=O)(SCC[N+](C)(C)C)OC |
| Standard InCHI: | InChI=1S/C8H21NO3PS/c1-6-12-13(10,11-5)14-8-7-9(2,3)4/h6-8H2,1-5H3/q+1 |
| Standard InCHIKey: | LNRGVMGSJITNPJ-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9464Similarity 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 | 0.7083 | NPC470234 |
| Remote Similarity | 0.625 | NPC81384 |
| Remote Similarity | 0.5789 | NPC120097 |
| Remote Similarity | 0.566 | NPC473872 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | 9074 |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 242.10 |
| ALogP | -0.1993 |
| MLogP | 1.68 |
| XLogP | 0.061 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 12 |
| TPSA | 70.64 |
| RO5 Violation | 0 |