LigandBoxID:D05928

NAME:Stiripentol
SMILES: CC(C(C=Cc1ccc2ococ2c1)O)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D05928

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H18O3 234.295 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.3446 -8.8480
LOGS LOGP    
-3.3093 3.3425    

Links to the same SMILES compounds

LIGANDBOX KSH2016-03966890
CHEMBL CHEMBL1983350
ZINC ZINC00000724 ZINC02005958 ZINC11726811 ZINC22066531
PUBCHEM 10060022 10376822 25271730 29987065 38988294
39524 42126910 46782940 49850209 50901983 50901984
50901985 50901986 50901987 50901988 50901989 50902065
50902066 50902067 50902068 50902069 50902667 50902668
50902748 50902749 50902750 50902751 50902752 50902753
50902829 50902830 50902831 50902832 50902833 50902834
50902929 50902930 50902931 50902932 50902933 50902934
50902935 50903030 50903031 50903032 50903033 50903034
50903035 50903036 50903122 50903123 50903124 50903125
50903126 50903127 50903128 50903209 50903210 50903211
50903212 50903213 50903214 50903215 50903283 50903284
50903285 50903286 50903287 50903288 50903289 5311454
58478941 58478942 58478944 58478945 58478946 58478947
58478948 58478949 58478950 58478951 58478952 58478953
58478954 58478955 58478956 58478957 58478958 58478959
58478960 58478961 58478963 58478965 58478966 58478968
58478969 58478970 58478971 58478972 58478973 58478974


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