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PUBCHEM-ZINC05963254

 MMsINC code: MMs03463616
Type: Neutral
Formula: C4H10O4S
SMILES:   S(O)(=O)(=O)C(O)C(C)C
InChI:   InChI=1/C4H10O4S/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H,6,7,8)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.6243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.186 g/mol  logS: -0.02003  SlogP: -0.7171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171702  Sterimol/B1: 1.97891  Sterimol/B2: 3.03854  Sterimol/B3: 3.25638
  Sterimol/B4: 5.25109  Sterimol/L: 9.64483 
 
 Surface and Volume Properties
  Accessible surface: 303.204  Positive charged surface: 170.618  Negative charged surface: 132.587  Volume: 126
  Hydrophobic surface: 114.743  Hydrophilic surface: 188.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03463617
PUBCHEM-ZINC05963254