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PUBCHEM-ZINC06120069

 MMsINC code: MMs03548576
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(C(CC)C)C(CC)C)C(CC)CC
InChI:   InChI=1/C14H29NO/c1-7-11(5)15(12(6)8-2)14(16)13(9-3)10-4/h11-13H,7-10H2,1-6H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=117.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -2.81084  SlogP: 3.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269036  Sterimol/B1: 2.32021  Sterimol/B2: 3.34864  Sterimol/B3: 4.65881
  Sterimol/B4: 7.85958  Sterimol/L: 11.4222 
 
 Surface and Volume Properties
  Accessible surface: 449.204  Positive charged surface: 312.881  Negative charged surface: 136.323  Volume: 262.25
  Hydrophobic surface: 335.721  Hydrophilic surface: 113.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.