LigandBoxID:D09604

NAME:Dinaciclib
SMILES: OCCC3CCCCN3c2cc(n4NCC(c4n2)CC)NCc1cccn(c1)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09604

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28N6O2 396.495 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.8226 -8.1919
LOGS LOGP    
-3.5817 3.0078    

Links to the same SMILES compounds

LIGANDBOX PDB_1QK


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