Drug Information| Drug ID: | NPD468 |
| Drug Name: | Deferitrin |
| Molecular Formula: | C11H11NO4S |
| Canonical SMILES: | Oc1ccc(c(c1)O)C1=N[C@@](CS1)(C)C(=O)O |
| Standard InCHI: | InChI=1S/C11H11NO4S/c1-11(10(15)16)5-17-9(12-11)7-3-2-6(13)4-8(7)14/h2-4,13-14H,5H2,1H3,(H,15,16)/t11-/m1/s1 |
| Standard InCHIKey: | OEUUFNIKLCFNLN-LLVKDONJSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD468Similarity 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
| TTD | DIB014861 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 253.04 |
| ALogP | -0.3689 |
| MLogP | 2.01 |
| XLogP | 0.582 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 6 |
| TPSA | 115.42 |
| RO5 Violation | 0 |