LigandBoxID:KSH2016-02151453-01

SMILES: COc1cccc(c1)C=NNC(COc2ccc(cc2C)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS122-2355267

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H20N2O3 312.369 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.3409 -9.0064
LOGS LOGP    
-3.7534 3.3068    

Links to the same SMILES compounds

LIGANDBOX HTS1610-04267897
ZINC ZINC03023373
PUBCHEM 4496479 6128825 9673592

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-02939230

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