Drug Information| Drug ID: | NPD8559 |
| Drug Name: | |
| Molecular Formula: | C4H11O4P |
| Canonical SMILES: | CCOP(=O)(OCC)O |
| Standard InCHI: | InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) |
| Standard InCHIKey: | UCQFCFPECQILOL-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8559Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.8261 | NPC327597 |
| Intermediate Similarity | 0.8077 | NPC120097 |
| Intermediate Similarity | 0.7407 | NPC68114 |
| Intermediate Similarity | 0.7308 | NPC317545 |
| Remote Similarity | 0.6923 | NPC314978 |
| Remote Similarity | 0.6897 | NPC290971 |
| Remote Similarity | 0.6818 | NPC317825 |
| Remote Similarity | 0.6667 | NPC314319 |
| Remote Similarity | 0.6471 | NPC315093 |
| Remote Similarity | 0.6471 | NPC314888 |
| Remote Similarity | 0.6452 | NPC266566 |
| Remote Similarity | 0.6452 | NPC31433 |
| Remote Similarity | 0.6452 | NPC321170 |
| Remote Similarity | 0.6333 | NPC306022 |
| Remote Similarity | 0.625 | NPC292422 |
| Remote Similarity | 0.6 | NPC171090 |
| Remote Similarity | 0.5938 | NPC329270 |
| Remote Similarity | 0.5641 | NPC318351 |
| TTD | DNCL001790 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 210823 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 154.04 |
| ALogP | 0.458 |
| MLogP | 1.35 |
| XLogP | -0.363 |
| HDA | 4 |
| HBD | 1 |
| Rotatable Bonds | 7 |
| TPSA | 65.57 |
| RO5 Violation | 0 |