LigandBoxID:D00521

SMILES: OC(c4ccc(cc4)C(C)(C)C)CCCN3CCC(C(c1ccccc1)(c2ccccc2)O)CC3

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00521

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C32H42NO2 472.693 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -3.7802 -11.9599
LOGS LOGP    
-7.2202 6.5326    

Links to the same SMILES compounds

LIGANDBOX C07463 HTS1306-01511101
CHEMBL CHEMBL17157 CHEMBL303454 CHEMBL432527
ZINC ZINC03812892 ZINC03831511
PUBCHEM 11497463 20380011 21918847 3083008 5405
6604035 7048575 7048802 7048803 9831318 9832424


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