LigandBoxID:HTS2204-04903265-01

SMILES: CCSC1CCCC1NC(C(NC(OC(C)(C)C)=O)COC)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-020287396-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H30N2O4S 346.491 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 3 0.4128 -8.8647
mLOGS mLOGD mLOGPA  
-2.137 1.457 -4.453  

Links to the same SMILES compounds

PUBCHEM 121560144 124881573 124881574 124881575 124881576

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