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ANALYTICONDISCOVERY-ZINC05414227

 MMsINC code: MMs00036920
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(N1CC(CC)C(CC1)CC(=O)NC1CC1)C
InChI:   InChI=1/C14H24N2O2/c1-3-11-9-16(10(2)17)7-6-12(11)8-14(18)15-13-4-5-13/h11-13H,3-9H2,1-2H3,(H,15,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=58.8952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -1.61705  SlogP: 1.5497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831679  Sterimol/B1: 2.34973  Sterimol/B2: 2.65976  Sterimol/B3: 4.59791
  Sterimol/B4: 7.00109  Sterimol/L: 14.9352 
 
 Surface and Volume Properties
  Accessible surface: 505.055  Positive charged surface: 364.124  Negative charged surface: 140.931  Volume: 266.875
  Hydrophobic surface: 370.142  Hydrophilic surface: 134.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.