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PUBCHEM-ZINC04202982

 MMsINC code: MMs03099272
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1CCCCC1N
InChI:   InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=21.9924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.46884  SlogP: 1.781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128977  Sterimol/B1: 2.49093  Sterimol/B2: 3.45232  Sterimol/B3: 4.54097
  Sterimol/B4: 5.30551  Sterimol/L: 12.5614 
 
 Surface and Volume Properties
  Accessible surface: 453.467  Positive charged surface: 334.545  Negative charged surface: 118.923  Volume: 226.5
  Hydrophobic surface: 316.771  Hydrophilic surface: 136.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03099273
PUBCHEM-ZINC04202982