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PUBCHEM-ZINC05467629

 MMsINC code: MMs03278210
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(NCC(CCCC)CC)C1CCCC1
InChI:   InChI=1/C14H27NO/c1-3-5-8-12(4-2)11-15-14(16)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3,(H,15,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.1566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -3.89404  SlogP: 3.5092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768045  Sterimol/B1: 2.17979  Sterimol/B2: 3.1096  Sterimol/B3: 3.89391
  Sterimol/B4: 8.56559  Sterimol/L: 15.2812 
 
 Surface and Volume Properties
  Accessible surface: 527.843  Positive charged surface: 409.12  Negative charged surface: 118.723  Volume: 262
  Hydrophobic surface: 449.799  Hydrophilic surface: 78.044
 
 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.