Drug Information| Drug ID: | NPD8561 |
| Drug Name: | Alendronate Sodium |
| Molecular Formula: | C4H13NO7P2.Na |
| Canonical SMILES: | NCCCC(P(=O)(O)O)(P(=O)(O)[O-])O.[Na+] |
| Standard InCHI: | InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1 |
| Standard InCHIKey: | CAKRAHQRJGUPIG-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8561Similarity 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 | 0.6667 | NPC258912 |
| Remote Similarity | 0.6667 | NPC292422 |
| Remote Similarity | 0.6531 | NPC315977 |
| Remote Similarity | 0.6279 | NPC18188 |
| Remote Similarity | 0.5686 | NPC286989 |