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NCID-ZINC01682808

 MMsINC code: MMs02316458
Type: Ionized
Formula: C4H9O5S2-
SMILES:   S(=O)(=O)(CC(S(=O)(=O)[O-])C)C
InChI:   InChI=1/C4H10O5S2/c1-4(11(7,8)9)3-10(2,5)6/h4H,3H2,1-2H3,(H,7,8,9)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.79577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.243 g/mol  logS: -0.12099  SlogP: -1.0353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151578  Sterimol/B1: 2.28279  Sterimol/B2: 3.11986  Sterimol/B3: 3.81224
  Sterimol/B4: 5.63068  Sterimol/L: 10.7719 
 
 Surface and Volume Properties
  Accessible surface: 339.434  Positive charged surface: 136.974  Negative charged surface: 202.46  Volume: 145.75
  Hydrophobic surface: 152.506  Hydrophilic surface: 186.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs02316457
NCID-ZINC01682808