Drug Information| Drug ID: | NPD8237 |
| Drug Name: | Glycerophosphoric Acid |
| Molecular Formula: | C3H9O6P |
| Canonical SMILES: | OCC(OP(=O)(O)O)CO |
| Standard InCHI: | "InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)" |
| Standard InCHIKey: | DHCLVCXQIBBOPH-UHFFFAOYSA-N |
| Max Developmental Stage: | Pre-clinical |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8237Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC31433 |
| Remote Similarity | 0.5455 | NPC317729 |
| Remote Similarity | 0.5455 | NPC568301 |
| Remote Similarity | 0.5263 | NPC188428 |
| Remote Similarity | 0.5263 | NPC153283 |
| Remote Similarity | 0.5263 | NPC53401 |
| Remote Similarity | 0.5238 | NPC317545 |
| TTD | |
| DrugBank | DB01779 |
| ChEMBL | CHEMBL1232903 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | 17270 |
| CAS Number |
| Molecular Weight | 172.01 |
| ALogP | -1.3439 |
| MLogP | 1.02 |
| XLogP | -3.109 |
| HDA | 6 |
| HBD | 4 |
| Rotatable Bonds | 8 |
| TPSA | 117.03 |
| RO5 Violation | 0 |