LigandBoxID:D01072

NAME:Chloramphenicol palmitate;Chloromycetin palmitate
SMILES: CCCCCCCCCCCCCCCC(OCC(C(c1ccc(N(=O)O)cc1)O)NC(C([Cl])[Cl])=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01072

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C27H42N2O6Cl2 561.547 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 2 -2.0042 -10.9258
LOGS LOGP    
-10.8967 5.9613    

Links to the same SMILES compounds

LIGANDBOX C11726 HTS1610-00584268 HTS1610-00584269 KSH2016-00545487
CHEMBL CHEMBL1506 CHEMBL1590964
ZINC ZINC15449244
PUBCHEM 10736 12598150 44119909 443382 51066565


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