LigandBoxID:D00950

NAME:Levonorgestrel;Mirena;Norplant
SMILES: CCC43CCC2C(C4CCC3(C#C)O)CCC1=CC(CCC21)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00950

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28O2 312.453 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 6 -0.0274 -10.1180
LOGS LOGP    
-4.5564 4.2638    

Links to the same SMILES compounds

LIGANDBOX C08149 C08153 D00954 HTS1610-00246779 HTS1610-03778260
HTS1610-03778261 KSH2016-01633381 PDB_NOG
CHEMBL CHEMBL1074 CHEMBL1371102 CHEMBL1389 CHEMBL1571929
ZINC ZINC01849618 ZINC03053828 ZINC03814395 ZINC03874524 ZINC03874525
ZINC03874526 ZINC03977930 ZINC03977931 ZINC03977932 ZINC05247751 ZINC05247752
ZINC05247753 ZINC05247803 ZINC05247804 ZINC05247805 ZINC11592826 ZINC11592827
ZINC13783395 ZINC22065395 ZINC22065398 ZINC22065401 ZINC35645885 ZINC35645888
ZINC61389310
PUBCHEM 10335940 10470788 1201550 12598302 12598304
12598305 12598310 13109 16051930 188364 24212158
24706 24848060 24848064 29985977 29985980 29985983
40469482 40469483 40517363 40517373 42052058 42052059
45040125 45040126 45357611 4542 46782588 51347811
51411158 51411159 51411162 51411163 52897229 5702096
57327175 57514904 57514905 59051186 59072710 60148395
62929 6552023 6604282 9809874 9811437 9831091
9851525 9851925 9854368 9873129 9876171 9916716
9916751 9938292 9938294 9938924 9960448


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