Drug Information| Drug ID: | NPD9770 |
| Drug Name: | |
| Molecular Formula: | CH6O6P2 |
| Canonical SMILES: | [O-]P(=O)(CP(=O)(O)O)[O-] |
| Standard InCHI: | InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)/p-2 |
| Standard InCHIKey: | MBKDYNNUVRNNRF-UHFFFAOYSA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9770Similarity 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 | 0.6471 | NPC317825 |
| TTD | DIB000828 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 173.95 |
| ALogP | -3.1341 |
| MLogP | 0.69 |
| XLogP | -3.202 |
| HDA | 6 |
| HBD | 2 |
| Rotatable Bonds | 6 |
| TPSA | 140.34 |
| RO5 Violation | 0 |