Drug ID: | NPD8594 |
Drug Name: | Succinic acid |
Molecular Formula: | C4H6O4 |
Canonical SMILES: | OC(=O)CCC(=O)O |
Standard InCHI: | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
Standard InCHIKey: | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | TTD; DrugBank |
Similarity 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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
TTD | DIB005716; DAP000545 |
DrugBank | DB00139 |
ChEMBL | CHEMBL576 |
IUPHAR/BPS | |
PharmaGKB | PA164747739 |
KEGG Drug | |
PubChem CID | 1110 |
ChEBI | 15741 |
CAS Number | 110-15-6 |
Molecular Weight | 118.03 |
ALogP | -0.41 |
MLogP | 1.46 |
XLogP | -0.71 |
HDA | 4 |
HBD | 2 |
Rotatable Bonds | 5 |
TPSA | 74.6 |
RO5 Violation | 0 |