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PUBCHEM-ZINC06020895

 MMsINC code: MMs03496065
Type: Neutral
Formula: C4H10O3S2
SMILES:   S(=S)(OCC(O)C)(=O)C
InChI:   InChI=1/C4H10O3S2/c1-4(5)3-7-9(2,6)8/h4-5H,3H2,1-2H3/t4-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=46.8346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.253 g/mol  logS: -1.33422  SlogP: -0.3251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172088  Sterimol/B1: 2.17985  Sterimol/B2: 3.55662  Sterimol/B3: 3.98465
  Sterimol/B4: 4.4963  Sterimol/L: 10.0787 
 
 Surface and Volume Properties
  Accessible surface: 341.94  Positive charged surface: 189.807  Negative charged surface: 152.134  Volume: 140.375
  Hydrophobic surface: 158.882  Hydrophilic surface: 183.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.