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ENAMINE-ZINC00405661

 MMsINC code: MMs01229987
Type: Neutral
Formula: C11H16N2O2
SMILES:   O=C1N(C(C)(C)C)C(=O)NC2=C1CCC2
InChI:   InChI=1/C11H16N2O2/c1-11(2,3)13-9(14)7-5-4-6-8(7)12-10(13)15/h4-6H2,1-3H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=44.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.71153  SlogP: 1.7747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109916  Sterimol/B1: 2.36975  Sterimol/B2: 2.78682  Sterimol/B3: 4.87633
  Sterimol/B4: 5.0304  Sterimol/L: 11.8691 
 
 Surface and Volume Properties
  Accessible surface: 398.407  Positive charged surface: 276.118  Negative charged surface: 122.289  Volume: 203.75
  Hydrophobic surface: 275.916  Hydrophilic surface: 122.491
 
 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.