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PUBCHEM-ZINC05467281

 MMsINC code: MMs03278100
Type: Neutral
Formula: C16H33NO
SMILES:   O=C(N(CCCC)CCCC)C(CCCC)CC
InChI:   InChI=1/C16H33NO/c1-5-9-12-15(8-4)16(18)17(13-10-6-2)14-11-7-3/h15H,5-14H2,1-4H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=32.0666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.446 g/mol  logS: -4.2173  SlogP: 4.6316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103321  Sterimol/B1: 3.29346  Sterimol/B2: 3.95657  Sterimol/B3: 4.23377
  Sterimol/B4: 8.36193  Sterimol/L: 16.1089 
 
 Surface and Volume Properties
  Accessible surface: 579.999  Positive charged surface: 440.017  Negative charged surface: 139.982  Volume: 305.75
  Hydrophobic surface: 469.767  Hydrophilic surface: 110.232
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.