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PUBCHEM-ZINC06042563

 MMsINC code: MMs03509312
Type: Neutral
Formula: C9H21NO2S
SMILES:   S(=O)(=O)(NC(CCCCC)C)CC
InChI:   InChI=1/C9H21NO2S/c1-4-6-7-8-9(3)10-13(11,12)5-2/h9-10H,4-8H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-15.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.338 g/mol  logS: -2.12806  SlogP: 1.8945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904562  Sterimol/B1: 2.81099  Sterimol/B2: 3.87974  Sterimol/B3: 3.95677
  Sterimol/B4: 5.89773  Sterimol/L: 12.4649 
 
 Surface and Volume Properties
  Accessible surface: 446.456  Positive charged surface: 304.909  Negative charged surface: 141.547  Volume: 214.625
  Hydrophobic surface: 301.935  Hydrophilic surface: 144.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.