LigandBoxID:D09032

NAME:Vinflunine ditartrate
SMILES: COC(C7(C(C9(C=CCN2CCC8(C92)c4cc(C6(C(OC)=O)CC1CN(Cc5c3ccccc3nc65)CC(C(F)(F)C)C1)c(cc4N(C87)C)OC)CC)OC(=O)C)O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09032

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C45H56N4O8F2 818.959 2 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 11 -5.3096 -13.0383
LOGS LOGP    
-7.5808 -2.2616    

Links to the same SMILES compounds

PUBCHEM 10629256 11355265 157688 16220212 21587991
24880385 25002696 25002697 25002698 25003047 25003048
25003404 25003405 25010636 25207680 25264484 25264485
25264486 25264616 25264969 25265113 25265114 25265115
25265260 25265261 25265325 25265326 44153428 46174139
53245637 54118770 54611608 57336520 636447 6918295
9811125 9811126


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