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CHEMSTAR-ZINC03160902

 MMsINC code: MMs01084981
Type: Ionized
Formula: C6H13O5S3-
SMILES:   S(=O)(=O)(C(C)(C)C)CCSS(=O)(=O)[O-]
InChI:   InChI=1/C6H14O5S3/c1-6(2,3)13(7,8)5-4-12-14(9,10)11/h4-5H2,1-3H3,(H,9,10,11)/p-1

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Potential Energy
Epot(MMFF94)=-1.57594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.363 g/mol  logS: -1.87921  SlogP: 0.3931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171055  Sterimol/B1: 2.17349  Sterimol/B2: 3.02941  Sterimol/B3: 4.67198
  Sterimol/B4: 4.93023  Sterimol/L: 12.7445 
 
 Surface and Volume Properties
  Accessible surface: 409.012  Positive charged surface: 172.252  Negative charged surface: 236.76  Volume: 201.75
  Hydrophobic surface: 163.485  Hydrophilic surface: 245.527
 
 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:


MMs01084980
CHEMSTAR-ZINC03160902