LigandBoxID:KSH2016-02230489-01

SMILES: OC(c1ccc(Oc2ccc(C(c4ccc5C(N(c3ccc(cc3)C(=O)O)C(c5c4)=O)=O)=O)cc2)cc1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS122-2436131

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C29H15NO8 505.438 -2 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 0 1.3201 -4.0917
LOGS LOGP    
-9.0368 3.5256    

Links to the same SMILES compounds

LIGANDBOX HTS1610-02860561
ZINC ZINC00864616

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-01945502

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