Drug Information| Drug ID: | NPD8958 |
| Drug Name: | Dianhydrogalactitol |
| Molecular Formula: | C6H10O4 |
| Canonical SMILES: | O[C@H]([C@@H]([C@H]1OC1)O)[C@@H]1OC1 |
| Standard InCHI: | InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6- |
| Standard InCHIKey: | AAFJXZWCNVJTMK-GUCUJZIJSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8958Similarity 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 | DNCL002497 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 15942827 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 146.06 |
| ALogP | -1.4072 |
| MLogP | 1.68 |
| XLogP | -1.86 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 5 |
| TPSA | 65.52 |
| RO5 Violation | 0 |