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ACROSORGANICS-ZINC02149410

 MMsINC code: MMs00012949
Type: Neutral
Formula: C7H15NO5S
SMILES:   S(O)(=O)(=O)CC(O)CN1CCOCC1
InChI:   InChI=1/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=35.3744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.265 g/mol  logS: 0.40208  SlogP: -1.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933456  Sterimol/B1: 2.63525  Sterimol/B2: 2.9435  Sterimol/B3: 3.90291
  Sterimol/B4: 4.75914  Sterimol/L: 13.1955 
 
 Surface and Volume Properties
  Accessible surface: 407.332  Positive charged surface: 287.607  Negative charged surface: 119.725  Volume: 188.5
  Hydrophobic surface: 238.305  Hydrophilic surface: 169.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.