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PUBCHEM-ZINC03137285

 MMsINC code: MMs03000275
Type: Neutral
Formula: C10H23NO2S
SMILES:   S(=O)(=O)(N(C)C)C(CCCCCC)C
InChI:   InChI=1/C10H23NO2S/c1-5-6-7-8-9-10(2)14(12,13)11(3)4/h10H,5-9H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=5.00766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.365 g/mol  logS: -2.39165  SlogP: 2.2367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609071  Sterimol/B1: 3.14036  Sterimol/B2: 3.32035  Sterimol/B3: 3.69674
  Sterimol/B4: 5.08809  Sterimol/L: 15.2192 
 
 Surface and Volume Properties
  Accessible surface: 468.54  Positive charged surface: 365.993  Negative charged surface: 102.546  Volume: 233.25
  Hydrophobic surface: 380.879  Hydrophilic surface: 87.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.