Drug Information| Drug ID: | NPD9306 |
| Drug Name: | Deferiprone |
| Molecular Formula: | C7H9NO2 |
| Canonical SMILES: | Cn1ccc(=O)c(c1C)O |
| Standard InCHI: | InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3 |
| Standard InCHIKey: | TZXKOCQBRNJULO-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9306Similarity 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 | 0.6552 | NPC158853 |
| Remote Similarity | 0.6438 | NPC126293 |
| Remote Similarity | 0.6379 | NPC305607 |
| Remote Similarity | 0.6184 | NPC281154 |
| Remote Similarity | 0.5942 | NPC305973 |
| Remote Similarity | 0.5833 | NPC185928 |
| Remote Similarity | 0.5694 | NPC66789 |
| Remote Similarity | 0.5692 | NPC46565 |
| Remote Similarity | 0.5692 | NPC137396 |
| Remote Similarity | 0.5692 | NPC229046 |
| Remote Similarity | 0.569 | NPC2741 |
| TTD | DNAP001700 |
| DrugBank | DB08826 |
| ChEMBL | CHEMBL70927 |
| IUPHAR/BPS | 7456 |
| PharmaGKB | |
| KEGG Drug | D07416 |
| PubChem CID | 2972 |
| ChEBI | 68554 |
| CAS Number | 30652-11-0 |
| Molecular Weight | 139.06 |
| ALogP | -0.4108 |
| MLogP | 1.9 |
| XLogP | 1.321 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 3 |
| TPSA | 40.54 |
| RO5 Violation | 0 |