LigandBoxID:PDB_DCE

NAME:DCE;1,2-DICHLOROETHANE;ETHYLENE DICHLORIDE
SMILES: [Cl]CC[Cl]

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
DCE(PDBeCHEM) DCE(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C2H4Cl2 98.960 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 0.3674 -11.5556
LOGS LOGP    
-0.1503 0.9579    

Links to the same SMILES compounds

LIGANDBOX C06752 HTS1610-00272281 HTS1610-00272282
CHEMBL CHEMBL16370
PUBCHEM 11 12197860 13599990 171099 176284
18628234 18998987 19380337 19380338 20449178 20571530
20649586 21290924 21472935 21621569 21999581 22020333
22134543 22402149 22608833 22768555 22901612 23092461
23353430 23424055 46864010 54447320 55207077


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