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PUBCHEM-ZINC06042955

 MMsINC code: MMs03509557
Type: Neutral
Formula: C16H33NO
SMILES:   O=C(N(CC(C)C)CC(C)C)C(CCCC)CC
InChI:   InChI=1/C16H33NO/c1-7-9-10-15(8-2)16(18)17(11-13(3)4)12-14(5)6/h13-15H,7-12H2,1-6H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=56.794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.446 g/mol  logS: -3.5904  SlogP: 4.3434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12696  Sterimol/B1: 3.21693  Sterimol/B2: 4.2352  Sterimol/B3: 4.62539
  Sterimol/B4: 6.37783  Sterimol/L: 15.1493 
 
 Surface and Volume Properties
  Accessible surface: 535.282  Positive charged surface: 392.486  Negative charged surface: 142.796  Volume: 303.5
  Hydrophobic surface: 408.52  Hydrophilic surface: 126.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.