Drug Information| Drug ID: | NPD8822 |
| Drug Name: | Amifostine |
| Molecular Formula: | C5H15N2O3PS |
| Canonical SMILES: | NCCCNCCSP(=O)(O)O |
| Standard InCHI: | InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10) |
| Standard InCHIKey: | JKOQGQFVAUAYPM-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8822Similarity 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 | 0.6316 | NPC27675 |
| Remote Similarity | 0.6154 | NPC193536 |
| Remote Similarity | 0.5897 | NPC258912 |
| Remote Similarity | 0.5854 | NPC95589 |
| Remote Similarity | 0.575 | NPC152949 |
| Remote Similarity | 0.5714 | NPC320889 |
| TTD | DIB003062 |
| DrugBank | DB01143 |
| ChEMBL | CHEMBL1006 |
| IUPHAR/BPS | |
| PharmaGKB | PA448365 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 2636 |
| CAS Number | 20537-88-6 |
| Molecular Weight | 214.05 |
| ALogP | -1.2498 |
| MLogP | 1.24 |
| XLogP | -1.866 |
| HDA | 5 |
| HBD | 4 |
| Rotatable Bonds | 10 |
| TPSA | 130.69 |
| RO5 Violation | 0 |