LigandBoxID:D00228

NAME:Amoxapine;Asendin
SMILES: N1CCN(C4Nc2ccccc2Oc3ccc(cc43)[Cl])CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00228

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H17N3OCl 314.796 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -4.2904 -10.6362
LOGS LOGP    
-4.4229 3.3654    

Links to the same SMILES compounds

LIGANDBOX HTS1410-02008144


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