LigandBoxID:D00464

NAME:Oxazepam;Serax
SMILES: OC2N=C(c3cc(ccc3NC2=O)[Cl])c1ccccc1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00464

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H11N2O2Cl 286.718 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.7664 -9.6363
LOGS LOGP    
-4.0955 3.1910    

Links to the same SMILES compounds

LIGANDBOX C07359
CHEMBL CHEMBL1743322 CHEMBL1908107 CHEMBL568
ZINC ZINC00000575 ZINC00509440
PUBCHEM 10880710 11507538 11601717 15558415 16066796
20072508 21116474 21117758 21716069 23620331 23620332
23620653 4616 667436 921299


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