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PUBCHEM-ZINC05434494

 MMsINC code: MMs03268982
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C(NC)C1N(CCC1)C(=O)C(C)(C)C
InChI:   InChI=1/C11H20N2O2/c1-11(2,3)10(15)13-7-5-6-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=69.3086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -0.99474  SlogP: 0.7695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132584  Sterimol/B1: 2.25314  Sterimol/B2: 3.08515  Sterimol/B3: 3.82103
  Sterimol/B4: 6.93215  Sterimol/L: 12.4083 
 
 Surface and Volume Properties
  Accessible surface: 431.501  Positive charged surface: 329.703  Negative charged surface: 101.798  Volume: 220.125
  Hydrophobic surface: 326.291  Hydrophilic surface: 105.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.