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PUBCHEM-ZINC05307240

 MMsINC code: MMs03235928
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(NC1CCCCCCC1)CC
InChI:   InChI=1/C11H21NO/c1-2-11(13)12-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -2.47382  SlogP: 2.6255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173618  Sterimol/B1: 3.20028  Sterimol/B2: 3.50924  Sterimol/B3: 4.40561
  Sterimol/B4: 4.64024  Sterimol/L: 12.343 
 
 Surface and Volume Properties
  Accessible surface: 406.412  Positive charged surface: 309.967  Negative charged surface: 96.4456  Volume: 204.25
  Hydrophobic surface: 348.235  Hydrophilic surface: 58.177
 
 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.