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ACROSORGANICS-ZINC01659810

 MMsINC code: MMs00010337
Type: Neutral
Formula: C6H15NO5S
SMILES:   S(O)(=O)(=O)CCN(CCO)CCO
InChI:   InChI=1/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=47.7588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.254 g/mol  logS: 0.8961  SlogP: -2.4049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144437  Sterimol/B1: 2.11703  Sterimol/B2: 3.51484  Sterimol/B3: 3.9206
  Sterimol/B4: 4.25632  Sterimol/L: 12.2104 
 
 Surface and Volume Properties
  Accessible surface: 392.745  Positive charged surface: 290.049  Negative charged surface: 102.695  Volume: 179.25
  Hydrophobic surface: 197.015  Hydrophilic surface: 195.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.