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PUBCHEM-ZINC06491874

 MMsINC code: MMs03765508
Type: Ionized
Formula: C4H9O5S2-
SMILES:   S(=O)(=O)(CC(S(=O)(=O)[O-])C)C
InChI:   InChI=1/C4H10O5S2/c1-4(11(7,8)9)3-10(2,5)6/h4H,3H2,1-2H3,(H,7,8,9)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=4.43612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.243 g/mol  logS: -0.12099  SlogP: -1.0353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153087  Sterimol/B1: 2.41566  Sterimol/B2: 3.50563  Sterimol/B3: 3.54736
  Sterimol/B4: 5.57816  Sterimol/L: 10.45 
 
 Surface and Volume Properties
  Accessible surface: 336.162  Positive charged surface: 145.859  Negative charged surface: 190.303  Volume: 146.125
  Hydrophobic surface: 162.398  Hydrophilic surface: 173.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03765507
PUBCHEM-ZINC06491874