LigandBoxID:D07727

NAME:Clomipramine;Anafranil
SMILES: CN(CCCN2c1ccccc1CCc3ccc(cc32)[Cl])C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07727

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24N2Cl 315.868 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -4.0194 -11.4149
LOGS LOGP    
-4.8585 4.8099    

Links to the same SMILES compounds

LIGANDBOX C06918 D00811 HTS1610-00116538 HTS1610-00116539 HTS1610-03564937
KSH2016-00017007 KSH2016-00588877 PDB_CXX
CHEMBL CHEMBL1200710 CHEMBL415
ZINC ZINC00020248
PUBCHEM 21114884 22734989 24896606 25010313 25210450
2801 4336361 451077 46781048 46781049 481773
657299 68539 9939942


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