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PUBCHEM-ZINC05591041

 MMsINC code: MMs03315700
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NCCC)C(CCCC)CC
InChI:   InChI=1/C11H23NO/c1-4-7-8-10(6-3)11(13)12-9-5-2/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=9.63096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.76387  SlogP: 2.729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651089  Sterimol/B1: 2.53188  Sterimol/B2: 2.66055  Sterimol/B3: 3.55191
  Sterimol/B4: 5.69586  Sterimol/L: 15.7479 
 
 Surface and Volume Properties
  Accessible surface: 461.568  Positive charged surface: 350.986  Negative charged surface: 110.583  Volume: 218.375
  Hydrophobic surface: 358.327  Hydrophilic surface: 103.241
 
 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.