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ACROSORGANICS-ZINC01665078

MMsINC code: MMs00010386

Type: Neutral
Formula: C4H10O4S
SMILES:   S(=O)(=O)(CCO)CCO
InChI:   InChI=1/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2

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Potential Energy
Epot(MMFF94)=-0.907915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.186 g/mol  logS: 0.70337  SlogP: -1.6142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720398  Sterimol/B1: 2.87156  Sterimol/B2: 2.91301  Sterimol/B3: 3.0355
  Sterimol/B4: 3.03564  Sterimol/L: 11.9844 
 
 Surface and Volume Properties
  Accessible surface: 326.635  Positive charged surface: 215.752  Negative charged surface: 110.883  Volume: 128.75
  Hydrophobic surface: 158.698  Hydrophilic surface: 167.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.