LigandBoxID:D00458

SMILES: OCCOCCN1CCN(C4Nc2ccccc2Sc3ccccc43)CC1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00458

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26N3O2S 384.523 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.0064 -10.7824
LOGS LOGP    
-7.6535 2.2756    

Links to the same SMILES compounds

LIGANDBOX C07397 D08456
ZINC ZINC35566961 ZINC35566961 ZINC35566961 ZINC35566963 ZINC35566963
ZINC35566963
PUBCHEM 46705409 46705410


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