LigandBoxID:D01041

NAME:Sparteine
SMILES: C1CCC3N(CC4CC3CN2CCCCC42)C1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01041

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H28N2 236.403 2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 6 -7.2847 -17.6729
LOGS LOGP    
-0.3814 3.0085    

Links to the same SMILES compounds

LIGANDBOX C10783 C17418 D02239 HTS1610-00130326 HTS1610-00130327
HTS1610-00246992 HTS1610-00246993 HTS1610-00246994 HTS1610-00246995 HTS1610-00246996 HTS1610-00246997
HTS1610-02682924 HTS1610-02682925 HTS1610-03558923 HTS1610-03558924 HTS1610-03823326 HTS1610-03823327
KSH2016-01077065 KSH2016-01618524 KSH2016-01632661 KSH2016-02649153 KSH2016-02649154 KSH2016-02649169
KSH2016-03389204
CHEMBL CHEMBL1328708 CHEMBL1492771 CHEMBL172633 CHEMBL1734623 CHEMBL1740920
CHEMBL1900403 CHEMBL1909438 CHEMBL1968726 CHEMBL2010478 CHEMBL412873 CHEMBL44625
ZINC ZINC00000721 ZINC00156956 ZINC00157025 ZINC01408502 ZINC02040880
ZINC05133853 ZINC12341707 ZINC15414592 ZINC53683687
PUBCHEM 10331615 10951528 11033872 11561728 11750255
11751755 11963882 11977098 12304478 12304488 12304489
1424230 15939617 15939830 15939848 15939859 15939863
16212687 16638152 16638181 16638182 16638183 16638185
16667726 16667748 16689356 16757879 16757912 16759267
168213 1715129 1715130 1774551 17749555 17749556
18477684 18528827 18531118 198268 20055553 20787487
20846907 20846908 20846909 21232897 21954285 230880
23616742 23616743 24192903 24207514 24805328 25271729
262604 3556231 3966 422499 44148892 44150333
44150508 44152286 44152666 442964 442965 44381766
44658265 45142966 45157552 46783817 46937024 49822681
49868075 49868159 50918896 51051774 5194681 5248102
52951064 52951065 5320360 5321421 53483603 5702117
5702118 58174489 58330513 586490 58697387 58785334
59033439 59615105 59920081 6101950 6395432 6395452
6397401 644020 6452127 6557358 6999974 7014
72325 92759 9293 9863770 9863771


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