Drug Information| Drug ID: | NPD8546 |
| Drug Name: | Fosmidomycin |
| Molecular Formula: | C4H10NO5P |
| Canonical SMILES: | O=CN(CCCP(=O)(O)O)O |
| Standard InCHI: | InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) |
| Standard InCHIKey: | GJXWDTUCERCKIX-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8546Similarity 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 |
|---|---|---|
| High Similarity | 1.0 | NPC314838 |
| Intermediate Similarity | 0.8333 | NPC314567 |
| Intermediate Similarity | 0.8333 | NPC79954 |
| TTD | DAP001384 |
| DrugBank | DB02948 |
| ChEMBL | CHEMBL203125 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 572 |
| ChEBI | 443725 |
| CAS Number |
| Molecular Weight | 183.03 |
| ALogP | -2.701 |
| MLogP | 1.13 |
| XLogP | -2.239 |
| HDA | 4 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 107.88 |
| RO5 Violation | 0 |