LigandBoxID:D01002

NAME:Cyclopentolate hydrochloride;Cyclogyl
SMILES: N(CCOC(C(C2(CCCC2)O)c1ccccc1)=O)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01002

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H26NO3 292.399 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.3838 -12.0664
LOGS LOGP    
-2.7780 3.5777    

Links to the same SMILES compounds

LIGANDBOX C06932 D07759 HTS1610-00117089 HTS1610-00117090 HTS1610-02682899
HTS1610-02682900 KSH2016-04044649
CHEMBL CHEMBL1200473 CHEMBL1201338 CHEMBL1534418
ZINC ZINC00000196 ZINC00155531
PUBCHEM 16048556 22162 24848035 25271645 25271646
2905 3819932 43833353 45114073 46224605 657209
6604325 6931312


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