LigandBoxID:D01745

NAME:Domperidone;Motilium
SMILES: [Cl]c1ccc5c(NC(N5C2CCN(CC2)CCCN4C(Nc3ccccc43)=O)=O)c1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01745

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H25N5O2Cl 426.928 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -4.2202 -11.5055
LOGS LOGP    
-5.8925 2.9764    

Links to the same SMILES compounds

LIGANDBOX D07868 HTS1610-00140216 KSH2016-00017461 KSH2016-01933347
CHEMBL CHEMBL1513405 CHEMBL219916
ZINC ZINC19632603
PUBCHEM 11170312 11411757 11554431 11976969 12000277
16205394 188548 20385561 3151 42629538 42629539
42629654 42629655 42629656 42629657 42629658 42629774
42629775 42629776 42629777 42629896 42629898 42630022
42630023 42630024 42630025 42630136 42630137 42630138
42630139 42630140 42630255 42630256 42630257 42630258
42630259 42630378 45109890 46878575 5255699 53495156
54748920 54748921 6443236 6449819 6604595 9808295
9852245 9853764 9874850 9918106 9918663 9940767


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