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PUBCHEM-ZINC03186780

 MMsINC code: MMs03006148
Type: Neutral
Formula: C11H21NO2S
SMILES:   S1(=O)(=O)CC(N(C)C2CCCCC2)CC1
InChI:   InChI=1/C11H21NO2S/c1-12(10-5-3-2-4-6-10)11-7-8-15(13,14)9-11/h10-11H,2-9H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=32.2175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.36 g/mol  logS: -1.42135  SlogP: 1.438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155281  Sterimol/B1: 2.08507  Sterimol/B2: 3.27653  Sterimol/B3: 3.90901
  Sterimol/B4: 6.36021  Sterimol/L: 12.3638 
 
 Surface and Volume Properties
  Accessible surface: 422.584  Positive charged surface: 295.656  Negative charged surface: 126.928  Volume: 223.625
  Hydrophobic surface: 344.339  Hydrophilic surface: 78.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03006149
PUBCHEM-ZINC03186780