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CHEMBRIDGE-ZINC02879084

 MMsINC code: MMs00732821
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(N)C1CCN(CC1)C(=O)CC(C)(C)C
InChI:   InChI=1/C12H22N2O2/c1-12(2,3)8-10(15)14-6-4-9(5-7-14)11(13)16/h9H,4-8H2,1-3H3,(H2,13,16)

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Potential Energy
Epot(MMFF94)=37.9602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.99933  SlogP: 1.1465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100556  Sterimol/B1: 2.18749  Sterimol/B2: 3.67641  Sterimol/B3: 4.0661
  Sterimol/B4: 5.05238  Sterimol/L: 13.8558 
 
 Surface and Volume Properties
  Accessible surface: 452.994  Positive charged surface: 340.345  Negative charged surface: 112.65  Volume: 236.125
  Hydrophobic surface: 287.455  Hydrophilic surface: 165.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.