LigandBoxID:PDB_CYH

NAME:CYH;CYCLOHEXANONE
SMILES: O=C1CCCCC1

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CYH(PDBeCHEM) CYH(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H10O 98.145 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 0.7709 -10.3743
LOGS LOGP    
-0.7347 1.0270    

Links to the same SMILES compounds

LIGANDBOX C00414 HTS1610-00138838 KSH2016-00066445
CHEMBL CHEMBL18850
ZINC ZINC04528575
PUBCHEM 10042035 10510820 12998629 12998634 12998638
12998640 12998644 168266 17772798 18353808 18429072
18615532 18763456 18950040 18971105 19050236 19611950
19753491 20092215 20394878 20405634 20521938 20975610
21115912 21185458 21257602 21446103 21455524 21499145
21584770 21711881 21720299 21881729 21966861 21993203
22129227 22129406 22134336 22388712 22639640 22646076
22725921 22904704 22995271 23057236 23470190 23508632
23617535 23699780 25240954 44151685 53629724 53630439
57452149 59915725 60016895 7967 9989222


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