LigandBoxID:HTS1610-04634220-01

SMILES: CCOC(c3sc(cc3C)NC(Cc2ccc(c(S(N1CCOCC1)(=O)=O)c2)OC)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-016878815-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26N2O7S2 482.576 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -1.0416 -9.3636
LOGS LOGP    
-4.8805 1.3013    

Links to the same SMILES compounds

ZINC ZINC13008270
PUBCHEM 25667107

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03204143

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