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PUBCHEM-ZINC06487240

 MMsINC code: MMs03762067
Type: Ionized
Formula: C4H9O4S2-
SMILES:   S(=O)(=O)(CC(S(=O)[O-])C)C
InChI:   InChI=1/C4H10O4S2/c1-4(9(5)6)3-10(2,7)8/h4H,3H2,1-2H3,(H,5,6)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=5.58286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.244 g/mol  logS: -0.27047  SlogP: -0.7014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167838  Sterimol/B1: 2.48106  Sterimol/B2: 3.4239  Sterimol/B3: 3.77277
  Sterimol/B4: 4.89756  Sterimol/L: 10.1786 
 
 Surface and Volume Properties
  Accessible surface: 332.796  Positive charged surface: 162.617  Negative charged surface: 170.178  Volume: 143
  Hydrophobic surface: 183.82  Hydrophilic surface: 148.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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:


MMs03762066
PUBCHEM-ZINC06487240