LigandBoxID:D08206

SMILES: CN(C(C(c1ccccc1)O)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D08206

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H18NO 180.271 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 2 -3.9869 -13.0128
LOGS LOGP    
-1.0907 2.9899    

Links to the same SMILES compounds

LIGANDBOX D01952 D02109 D09842
CHEMBL CHEMBL1589978 CHEMBL445001
ZINC ZINC00000491 ZINC00155911 ZINC03643826 ZINC03874419
PUBCHEM 102023 10904447 11954231 13666 156788
16206538 16206539 16206540 16753586 198190 20660742
24185731 25079345 25079346 25079347 25079348 2754247
2754588 2794440 3041454 4214034 4374 50923279
53297482 54575172 5706040 57752047 59091412 64782
656696 6918907 6931420 7045765 7059595 7059596
9837297 9851505


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