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PUBCHEM-ZINC06491875

 MMsINC code: MMs03765509
Type: Neutral
Formula: C4H10O4S2
SMILES:   S(=O)(=O)(CC(S(O)=O)C)C
InChI:   InChI=1/C4H10O4S2/c1-4(9(5)6)3-10(2,7)8/h4H,3H2,1-2H3,(H,5,6)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.252 g/mol  logS: -0.19895  SlogP: -0.9245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111523  Sterimol/B1: 2.40788  Sterimol/B2: 2.74438  Sterimol/B3: 3.63736
  Sterimol/B4: 5.50456  Sterimol/L: 10.1515 
 
 Surface and Volume Properties
  Accessible surface: 334.282  Positive charged surface: 200.054  Negative charged surface: 134.229  Volume: 144.25
  Hydrophobic surface: 173.001  Hydrophilic surface: 161.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.