LigandBoxID:D03846

NAME:Dimethyl fumarate
SMILES: COC(C=CC(OC)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03846

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H8O4 144.126 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.9042 -11.3512
LOGS LOGP    
-0.3099 0.3142    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00157633 HTS1610-00170831 KSH2016-00056375
ZINC ZINC03843378 ZINC12358876
PUBCHEM 11179743 11386670 11420545 11984717 12201064
12215 21944285 22596797 44149700 5271565 637568
6455604


[Back to top page]