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PUBCHEM-ZINC05464370

 MMsINC code: MMs03277183
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NC(CCCCC)C)CCC
InChI:   InChI=1/C11H23NO/c1-4-6-7-9-10(3)12-11(13)8-5-2/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=0.628865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.88931  SlogP: 2.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053501  Sterimol/B1: 2.59757  Sterimol/B2: 2.74146  Sterimol/B3: 3.17108
  Sterimol/B4: 7.03806  Sterimol/L: 14.8999 
 
 Surface and Volume Properties
  Accessible surface: 473.82  Positive charged surface: 359.891  Negative charged surface: 113.929  Volume: 221.625
  Hydrophobic surface: 369.191  Hydrophilic surface: 104.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.