LigandBoxID:D05024

SMILES: COCC(OC4(CCc3cc(ccc3C4C(C)C)F)CCN(CCCC1Nc2ccccc2N1)C)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D05024

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C29H39N3O3F 496.647 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 3 -4.0192 -11.0777
LOGS LOGP    
-6.9065 6.1126    

Links to the same SMILES compounds

LIGANDBOX C07222 D08217


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