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CHEMSTAR-ZINC02371973

 MMsINC code: MMs01081171
Type: Ionized
Formula: C5H11O5S3-
SMILES:   S(=O)(=O)(C(C)C)CCSS(=O)(=O)[O-]
InChI:   InChI=1/C5H12O5S3/c1-5(2)12(6,7)4-3-11-13(8,9)10/h5H,3-4H2,1-2H3,(H,8,9,10)/p-1

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Potential Energy
Epot(MMFF94)=-9.19238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.336 g/mol  logS: -1.552  SlogP: 0.003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937172  Sterimol/B1: 2.83913  Sterimol/B2: 3.61672  Sterimol/B3: 3.81825
  Sterimol/B4: 4.04181  Sterimol/L: 12.7344 
 
 Surface and Volume Properties
  Accessible surface: 396.71  Positive charged surface: 160.837  Negative charged surface: 235.874  Volume: 183.625
  Hydrophobic surface: 151.902  Hydrophilic surface: 244.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs01081170
CHEMSTAR-ZINC02371973