Drug Information| Drug ID: | NPD8593 |
| Drug Name: | Sodium Succinate |
| Molecular Formula: | C4H6O4.Na |
| Canonical SMILES: | [O-]C(=O)CCC(=O)O.[Na+] |
| Standard InCHI: | "InChI=1S/C4H6O4.Na/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1" |
| Standard InCHIKey: | KZQSXALQTHVPDQ-UHFFFAOYSA-M |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8593Similarity 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 | 0.625 | NPC236709 |
| Remote Similarity | 0.625 | NPC318405 |
| Remote Similarity | 0.625 | NPC611739 |
| Remote Similarity | 0.5625 | NPC169697 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 117.02 |
| ALogP | -1.0878 |
| MLogP | 1.46 |
| XLogP | -1.191 |
| HDA | 4 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 77.43 |
| RO5 Violation | 0 |