Drug Information| Drug ID: | NPD9753 |
| Drug Name: | Foscarnet Sodium |
| Molecular Formula: | CH3O5P.3Na |
| Canonical SMILES: | [O-]C(=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| Standard InCHI: | "InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3" |
| Standard InCHIKey: | DFHAXXVZCFXGOQ-UHFFFAOYSA-K |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9753Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.5833 | NPC324351 |
| Remote Similarity | 0.5455 | NPC68874 |
| Remote Similarity | 0.5455 | NPC327795 |
| Remote Similarity | 0.5385 | NPC89025 |
| Remote Similarity | 0.5385 | NPC213481 |
| Remote Similarity | 0.5385 | NPC313620 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 122.95 |
| ALogP | -2.4908 |
| MLogP | 0.91 |
| XLogP | -2.608 |
| HDA | 5 |
| HBD | 0 |
| Rotatable Bonds | 4 |
| TPSA | 113.13 |
| RO5 Violation | 0 |