Drug Information| Drug ID: | NPD8617 |
| Drug Name: | Sodium Oxybate |
| Molecular Formula: | C4H8O3.Na |
| Canonical SMILES: | OCCCC(=O)[O-].[Na+] |
| Standard InCHI: | "InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1" |
| Standard InCHIKey: | XYGBKMMCQDZQOZ-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8617Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6111 | NPC325257 |
| Remote Similarity | 0.6111 | NPC320703 |
| Remote Similarity | 0.5652 | NPC319951 |
| Remote Similarity | 0.56 | NPC123006 |
| Remote Similarity | 0.5556 | NPC149193 |
| Remote Similarity | 0.5417 | NPC139325 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 103.04 |
| ALogP | -1.6195 |
| MLogP | 1.57 |
| XLogP | -1.082 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 60.36 |
| RO5 Violation | 0 |