LigandBoxID:D02698

NAME:Teniposide;Vumon
SMILES: COc3cc(C8C6C(OCC6C(c7cc4ococ4cc87)OC2OC5COC(c1cccs1)OC5C(C2O)O)=O)cc(c3O)OC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02698

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C32H32O13S 656.660 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
13 10 -0.3632 -9.0742
LOGS LOGP    
-4.9237 2.1076    

Links to the same SMILES compounds

LIGANDBOX C11153 PDB_9TP
CHEMBL CHEMBL1397089 CHEMBL1571037 CHEMBL2003481 CHEMBL278534
ZINC ZINC03831506 ZINC03831508 ZINC03984008 ZINC03984009 ZINC03984010
ZINC03984011 ZINC49637554 ZINC49637556
PUBCHEM 107642 16757838 23724511 275784 34698
42066949 42066950 42066951 42066952 44300016 452548
46209538 46243738 46243739 46243740 46243742 46243743
46243748 46243749 46243750 46243751 46243761 46243762
46243763 46243777 46243778 46243779 46243792 46243793
46243794 46243807 46243857 46243893 46243894 46243895
46243905 46243906 46243907 46243916 46243917 46243918
46243929 46243930 46243931 46782991 5284623 53298485
5396 54127190 54610154 57835437 59063812 59120854
59157861 59359700 59359701 59359703 59359709 59359711
59359714 59359715 59359716 59359720 59359721 59359723
59359727 59359731 59359735 59359737 59359743 59359745
59359746 59359748 59359749 59824740 59835628 59991123
60046280 6708778


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