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CHEMBRIDGE-ZINC00303163

 MMsINC code: MMs00604427
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(N1CCCCC1CC)C1CCCCC1
InChI:   InChI=1/C14H25NO/c1-2-13-10-6-7-11-15(13)14(16)12-8-4-3-5-9-12/h12-13H,2-11H2,1H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=51.4072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -2.79477  SlogP: 3.3578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106178  Sterimol/B1: 2.53259  Sterimol/B2: 2.86548  Sterimol/B3: 3.66736
  Sterimol/B4: 7.22928  Sterimol/L: 12.8053 
 
 Surface and Volume Properties
  Accessible surface: 456.367  Positive charged surface: 366.632  Negative charged surface: 89.735  Volume: 247.5
  Hydrophobic surface: 422.322  Hydrophilic surface: 34.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.