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PUBCHEM-ZINC06037716

 MMsINC code: MMs03507785
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(NC(C)C)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C14H27NO/c1-9(2)12-7-6-11(5)8-13(12)14(16)15-10(3)4/h9-13H,6-8H2,1-5H3,(H,15,16)/t11-,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=40.8646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -4.33293  SlogP: 3.2194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187093  Sterimol/B1: 1.99235  Sterimol/B2: 2.4872  Sterimol/B3: 4.77805
  Sterimol/B4: 7.71928  Sterimol/L: 12.325 
 
 Surface and Volume Properties
  Accessible surface: 475.886  Positive charged surface: 347.959  Negative charged surface: 127.928  Volume: 255.625
  Hydrophobic surface: 356.099  Hydrophilic surface: 119.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.