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PUBCHEM-ZINC05501139

 MMsINC code: MMs03288660
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(NC1CCCCCC1)C(CC)(C)C
InChI:   InChI=1/C13H25NO/c1-4-13(2,3)12(15)14-11-9-7-5-6-8-10-11/h11H,4-10H2,1-3H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=42.6928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -2.87736  SlogP: 3.2616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879193  Sterimol/B1: 3.01185  Sterimol/B2: 3.58535  Sterimol/B3: 3.8411
  Sterimol/B4: 4.31097  Sterimol/L: 13.9139 
 
 Surface and Volume Properties
  Accessible surface: 450.285  Positive charged surface: 329.929  Negative charged surface: 120.356  Volume: 239.625
  Hydrophobic surface: 373.818  Hydrophilic surface: 76.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.