LigandBoxID:D00752

SMILES: COc2c(c3COC(c3c(c2CC=C(CCC(OCCN1CCOCC1)=O)C)O)=O)C

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00752

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H32NO7 434.509 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -4.5085 -10.8488
LOGS LOGP    
-2.7139 2.0814    

Links to the same SMILES compounds

LIGANDBOX C07908 D05094 HTS1306-00119328
CHEMBL CHEMBL1200955 CHEMBL1456
ZINC ZINC21297660 ZINC22064264
PUBCHEM 10455632 11585978 25207697 25232953 25232955
25232956 25241480 25241481 25241486 4271 45039975
5281078 53363759 5353799 6441022 6474989 6479686
9918263 9918987


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