LigandBoxID:D08644

NAME:Trimethoprim lactate;Wellcoprim
SMILES: COc2cc(cc(c2OC)OC)Cc1cnc(nc1N)N

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08644

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H18N4O3 290.323 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 0.6592 -8.5765
LOGS LOGP    
-3.7350 -0.2751    

Links to the same SMILES compounds

LIGANDBOX C01965 D00145 D00285 D06236 HTS1610-00123967
KSH2016-00015591 PDB_TOP PDB_TRR
CHEMBL CHEMBL1200915 CHEMBL1201080 CHEMBL1430611 CHEMBL195591 CHEMBL22
CHEMBL58061
ZINC ZINC06627681 ZINC06627681
PUBCHEM 11964023 11980986 12254408 155305 162742
171326 173769 18530267 22667720 23278267 23310602
24719 25223910 3082510 3084396 358641 44145560
44150814 446998 45040631 451492 456354 46783190
46783191 481652 485453 491471 50924539 54766027
5578 57361656 57484356 64931 64932 64933
64934 64935 64936 64937 64938 9872454
9939708


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