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PUBCHEM-ZINC05464313

 MMsINC code: MMs03277169
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(NC(CCCCC)C)C(CC)CC
InChI:   InChI=1/C13H27NO/c1-5-8-9-10-11(4)14-13(15)12(6-2)7-3/h11-12H,5-10H2,1-4H3,(H,14,15)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=9.29535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -3.6063  SlogP: 3.5076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557758  Sterimol/B1: 2.693  Sterimol/B2: 3.54839  Sterimol/B3: 4.12329
  Sterimol/B4: 6.83431  Sterimol/L: 14.8014 
 
 Surface and Volume Properties
  Accessible surface: 508.365  Positive charged surface: 377.507  Negative charged surface: 130.858  Volume: 256.625
  Hydrophobic surface: 393.337  Hydrophilic surface: 115.028
 
 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.