LigandBoxID:D00622

NAME:Fosinopril sodium;Monopril
SMILES: CCC(OC(OP(CC(N3CC(C1CCCCC1)CC3C(=O)O)=O)(CCCCc2ccccc2)=O)C(C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00622

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C30H45NO7P 562.664 -1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 4 1.6652 -4.2067
LOGS LOGP    
-3.2731 5.9704    

Links to the same SMILES compounds

LIGANDBOX C07016 D07992 HTS1610-00260144 HTS1610-00260145
CHEMBL CHEMBL1201036 CHEMBL1201310 CHEMBL1886787
ZINC ZINC03920355 ZINC03977764 ZINC04097309 ZINC04097310
PUBCHEM 10374054 10461194 10461195 11961304 16051939
16051974 16091062 18642264 23661834 23666105 23667962
23681451 23689371 23694889 24847820 24868265 3419
3420 45266912 45357796 46781657 46781658 49800050
51040913 51353523 55891 58616048 58666458 58666459
58672866 58672867 60060486 6708482 9601226 9872634
9873189 9873190


[Back to top page]