LigandBoxID:D07144

NAME:Dabigatran etexilate;Pradaxa
SMILES: CCCCCCOC(N=C(c2ccc(cc2)NCC3Nc4cc(C(N(c1ccccn1)CCC(OCC)=O)=O)ccc4N3C)N)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07144

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C34H41N7O5 627.746 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 0 -0.3232 -9.0571
LOGS LOGP    
-9.1525 4.2247    

Links to the same SMILES compounds

LIGANDBOX D07082


[Back to top page]