LigandBoxID:D01172

SMILES: CN1CCC(OC(c2ccccc2)c3ccccc3)CC1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01172

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24NO 282.407 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.7650 -12.1014
LOGS LOGP    
-4.2143 4.8099    

Links to the same SMILES compounds

LIGANDBOX D01627 D07862 HTS1306-00018683
CHEMBL CHEMBL1492 CHEMBL1564
ZINC ZINC00056643
PUBCHEM 21154191 214816 23615689 23624217 24187256
3064301 3103 3668575 43833355 45382238 57346205
66063 71640


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