LigandBoxID:D00059

NAME:Levodopa;Dopar
SMILES: OC(C(Cc1ccc(c(c1)O)O)N)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00059

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H11NO4 197.190 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.4149 -8.9099
LOGS LOGP    
-1.2002 -1.5612    

Links to the same SMILES compounds

LIGANDBOX C00355 HTS1610-00000502 HTS1610-00000503 HTS1610-00132911 HTS1610-00132912
KSH2016-00020938 KSH2016-00021192 PDB_DAH PDB_TY3
CHEMBL CHEMBL1009 CHEMBL211670 CHEMBL351042
ZINC ZINC00895199 ZINC01506908
PUBCHEM 10198062 11310141 11401373 11518201 11567894
11589059 12002502 12297001 12297005 16042129 17780407
19025210 19107774 19913502 20679676 20849409 20849410
21223255 21677749 21709364 22040 22115122 22256121
22857794 24994585 25240803 25241097 44138085 44232524
450581 450884 49818874 49849663 51038300 51038301
51038302 51038303 51038518 54448348 54678935 56966336
57347942 57379034 57422611 57462290 58663891 6047
6914094 6971033 6989908 836 92222 9837066
9928775


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