LigandBoxID:HTS1610-05748286-01

SMILES: O=C1CSC=3C=NN(C(C=3N1C)=O)CC(Nc2cccc(c2C)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-019231874-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H18N4O3S 358.421 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.2450 -8.9076
LOGS LOGP    
-3.4136 1.8893    

Links to the same SMILES compounds

LIGANDBOX KSH2016-03811798
ZINC ZINC49006569
PUBCHEM 49661739

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03971632

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