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NCID-ZINC01684958

 MMsINC code: MMs02318246
Type: Ionized
Formula: C6H8O6S2-2
SMILES:   S(SCCC(=O)[O-])(=O)(=O)CCC(=O)[O-]
InChI:   InChI=1/C6H10O6S2/c7-5(8)1-3-13-14(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2

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Potential Energy
Epot(MMFF94)=-6.76104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.256 g/mol  logS: -1.08193  SlogP: -2.6706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102596  Sterimol/B1: 3.43411  Sterimol/B2: 3.72741  Sterimol/B3: 3.85176
  Sterimol/B4: 4.04119  Sterimol/L: 12.9821 
 
 Surface and Volume Properties
  Accessible surface: 404.088  Positive charged surface: 159.999  Negative charged surface: 244.09  Volume: 178.25
  Hydrophobic surface: 115.514  Hydrophilic surface: 288.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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:


MMs02318245
NCID-ZINC01684958