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ENAMINE-ZINC03097902

 MMsINC code: MMs01290203
Type: Neutral
Formula: C5H8Cl2O4S
SMILES:   ClC(Cl)S(=O)(=O)CCC(OC)=O
InChI:   InChI=1/C5H8Cl2O4S/c1-11-4(8)2-3-12(9,10)5(6)7/h5H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.6152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.087 g/mol  logS: -0.95885  SlogP: 1.1454  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0737695  Sterimol/B1: 3.35515  Sterimol/B2: 3.51572  Sterimol/B3: 3.51615
  Sterimol/B4: 3.54127  Sterimol/L: 12.4965 
 
 Surface and Volume Properties
  Accessible surface: 390.053  Positive charged surface: 174.792  Negative charged surface: 215.261  Volume: 170.625
  Hydrophobic surface: 165.257  Hydrophilic surface: 224.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.