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PUBCHEM-ZINC06120348

 MMsINC code: MMs03548652
Type: Neutral
Formula: C10H23NO2S
SMILES:   S(=O)(=O)(N(C(CC)C)C(CC)C)CC
InChI:   InChI=1/C10H23NO2S/c1-6-9(4)11(10(5)7-2)14(12,13)8-3/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.8851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.365 g/mol  logS: -1.51417  SlogP: 2.2351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403079  Sterimol/B1: 3.39758  Sterimol/B2: 3.4969  Sterimol/B3: 4.51319
  Sterimol/B4: 5.13179  Sterimol/L: 11.1026 
 
 Surface and Volume Properties
  Accessible surface: 410.705  Positive charged surface: 272.597  Negative charged surface: 138.108  Volume: 226.875
  Hydrophobic surface: 284.646  Hydrophilic surface: 126.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.