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ASINEX-ZINC02371866

 MMsINC code: MMs00270389
Type: Neutral
Formula: C4H8O6S2
SMILES:   S(O)(=O)(=O)C1CS(=O)(=O)CC1O
InChI:   InChI=1/C4H8O6S2/c5-3-1-11(6,7)2-4(3)12(8,9)10/h3-5H,1-2H2,(H,8,9,10)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.69319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.234 g/mol  logS: 0.33144  SlogP: -2.5336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229864  Sterimol/B1: 2.75858  Sterimol/B2: 3.53806  Sterimol/B3: 3.94737
  Sterimol/B4: 4.45379  Sterimol/L: 9.41323 
 
 Surface and Volume Properties
  Accessible surface: 333.582  Positive charged surface: 153.239  Negative charged surface: 180.343  Volume: 144.25
  Hydrophobic surface: 102.985  Hydrophilic surface: 230.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs00270390
ASINEX-ZINC02371866