LigandBoxID:D00066

NAME:Progesterone;Crinone;Prometrium
SMILES: CC(C1CCC3C4CCC2=CC(CCC2(C4CCC31C)C)=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00066

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H30O2 314.469 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 6 -0.0748 -10.1910
LOGS LOGP    
-4.7047 4.2638    

Links to the same SMILES compounds

LIGANDBOX C00410 HTS1610-00170826 HTS1610-00170827 HTS1610-00241601 HTS1610-00241602
HTS1610-00352870 HTS1610-00352871 KSH2016-00018285 KSH2016-00058219 KSH2016-01619035 PDB_STR
CHEMBL CHEMBL103 CHEMBL125608 CHEMBL1335634 CHEMBL1489845
ZINC ZINC03132721 ZINC03874742 ZINC03874743 ZINC03874744 ZINC03874745
ZINC03977916 ZINC03977917 ZINC03977918 ZINC04081602 ZINC04081603 ZINC04428529
ZINC05186648 ZINC05186658 ZINC05229062 ZINC06491303 ZINC13521486 ZINC13542965
ZINC13542966 ZINC13542967 ZINC13542968 ZINC36384632 ZINC36384633 ZINC43574034
PUBCHEM 10686837 11045235 11869413 11869414 11869415
11869416 11876098 11876099 11876100 1201516 12303971
12303986 12303992 1274466 134665 16219863 16401562
164883 16655035 16757724 1807214 1807215 1807216
18635648 21121935 21139582 23254805 23254811 23615931
23616137 23617168 24786222 24820726 24860591 25028900
25240420 25240988 44135692 44275133 451149 4920
492401 50990729 51039150 5320716 53462341 54269926
54269927 56606627 56845853 57526392 58483135 58766357
58872617 59476904 5994 638017 6603959 7059604
7059605 7059606 7092664 7092665 92940 9830432
9948776 9960082 9962773 9963525


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