LigandBoxID:D02487

NAME:Proguanil hydrochloride;Chloroguanide hydrochloride;Paludrine
SMILES: CC(N=C(N=C(Nc1ccc(cc1)[Cl])N)N)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02487

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H16N5Cl 253.737 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -0.3290 -8.3512
LOGS LOGP    
-5.0294 3.4117    

Links to the same SMILES compounds

LIGANDBOX D08428 HTS1610-00566715
CHEMBL CHEMBL1377
PUBCHEM 11971705 11971706 12498 19600594 20843925
23616709 24848346 25271772 27073389 45114133 4923
53313189 5353897 5357481 5359484 57347456 57347457
6178111 9561832 9570076


[Back to top page]