Drug Information| Drug ID: | NPD9242 |
| Drug Name: | EB-1053 |
| Molecular Formula: | C7H17NO7P2 |
| Canonical SMILES: | OC(P(=O)(O)O)(P(=O)([O-])[O-])CCN1CCCC1 |
| Standard InCHI: | InChI=1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)3-6-8-4-1-2-5-8/h9H,1-6H2,(H2,10,11,12)(H2,13,14,15)/p-2 |
| Standard InCHIKey: | PMXAPNNYCFBALB-UHFFFAOYSA-L |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9242Similarity 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 | 0.5918 | NPC79954 |
| Remote Similarity | 0.5918 | NPC314567 |
| Remote Similarity | 0.5625 | NPC314838 |
| TTD | DIB006919 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 287.03 |
| ALogP | -3.3145 |
| MLogP | 1.13 |
| XLogP | -3.521 |
| HDA | 8 |
| HBD | 3 |
| Rotatable Bonds | 10 |
| TPSA | 163.81 |
| RO5 Violation | 0 |