LigandBoxID:D07907

SMILES: COCCOc2cc3ncnc(c3cc2OCCOC)Nc1ccc(cc1)C#C

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07907

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H23N3O4 393.443 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -0.9661 -8.8150
LOGS LOGP    
-4.8004 3.0759    

Links to the same SMILES compounds

LIGANDBOX D04023
ZINC ZINC11617006
PUBCHEM 11954378 11954379


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