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CHEMBRIDGE-ZINC00306546

 MMsINC code: MMs00605187
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C(NCC(=O)N(C)C)C1CCCCC1
InChI:   InChI=1/C11H20N2O2/c1-13(2)10(14)8-12-11(15)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=26.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.68421  SlogP: 0.7711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416043  Sterimol/B1: 2.62187  Sterimol/B2: 2.77653  Sterimol/B3: 3.26362
  Sterimol/B4: 4.93545  Sterimol/L: 14.6684 
 
 Surface and Volume Properties
  Accessible surface: 452.813  Positive charged surface: 372.612  Negative charged surface: 80.2013  Volume: 219.625
  Hydrophobic surface: 376.805  Hydrophilic surface: 76.008
 
 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.