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SPECS-ZINC04664696

 MMsINC code: MMs03942411
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C(NC1CCCCC1)C(NC(=O)C)C(C)C
InChI:   InChI=1/C13H24N2O2/c1-9(2)12(14-10(3)16)13(17)15-11-7-5-4-6-8-11/h9,11-12H,4-8H2,1-3H3,(H,14,16)(H,15,17)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=32.9977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -2.14493  SlogP: 1.596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116008  Sterimol/B1: 2.48068  Sterimol/B2: 2.92302  Sterimol/B3: 5.15767
  Sterimol/B4: 5.65151  Sterimol/L: 14.7277 
 
 Surface and Volume Properties
  Accessible surface: 481.009  Positive charged surface: 350.326  Negative charged surface: 130.684  Volume: 252.625
  Hydrophobic surface: 377.298  Hydrophilic surface: 103.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.