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IFLAB-ZINC03865751

 MMsINC code: MMs02005752
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-6.67507 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: 0.157541  Sterimol/B1: 2.45921  Sterimol/B2: 2.61112  Sterimol/B3: 3.69797
  Sterimol/B4: 4.62451  Sterimol/L: 10.2634 
 
 Surface and Volume Properties
  Accessible surface: 341.988  Positive charged surface: 150.162  Negative charged surface: 191.826  Volume: 144.625
  Hydrophobic surface: 135.506  Hydrophilic surface: 206.482
 
 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


MMs02005753
IFLAB-ZINC03865751