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IFLAB-ZINC03865752

 MMsINC code: MMs02005754
Type: Neutral
Formula: C4H8O6S2
SMILES:   S(OC1CCS(=O)(=O)C1)(O)(=O)=O
InChI:   InChI=1/C4H8O6S2/c5-11(6)2-1-4(3-11)10-12(7,8)9/h4H,1-3H2,(H,7,8,9)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-4.37115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.234 g/mol  logS: -0.32743  SlogP: -1.5728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148739  Sterimol/B1: 2.42949  Sterimol/B2: 2.76686  Sterimol/B3: 3.52857
  Sterimol/B4: 4.81133  Sterimol/L: 10.1179 
 
 Surface and Volume Properties
  Accessible surface: 343.458  Positive charged surface: 152.784  Negative charged surface: 190.674  Volume: 144.875
  Hydrophobic surface: 133.742  Hydrophilic surface: 209.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs02005755
IFLAB-ZINC03865752