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CHEMBRIDGE-ZINC02749885

 MMsINC code: MMs00715141
Type: Neutral
Formula: C11H24N2O
SMILES:   O=C(NCCCN(C)C)C(CC)CC
InChI:   InChI=1/C11H24N2O/c1-5-10(6-2)11(14)12-8-7-9-13(3)4/h10H,5-9H2,1-4H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=21.2314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: -1.30411  SlogP: 1.4905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622061  Sterimol/B1: 2.51175  Sterimol/B2: 2.77155  Sterimol/B3: 3.98419
  Sterimol/B4: 4.98575  Sterimol/L: 15.6476 
 
 Surface and Volume Properties
  Accessible surface: 480.33  Positive charged surface: 396.679  Negative charged surface: 83.6518  Volume: 230.875
  Hydrophobic surface: 398.456  Hydrophilic surface: 81.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00715142
CHEMBRIDGE-ZINC02749885