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PUBCHEM-ZINC00198567

 MMsINC code: MMs02638516
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C1N(CC(C)C)C(=O)N(C=C1)CC(C)C
InChI:   InChI=1/C12H20N2O2/c1-9(2)7-13-6-5-11(15)14(12(13)16)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=6.53587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -1.66257  SlogP: 2.0763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0868712  Sterimol/B1: 2.45  Sterimol/B2: 2.85128  Sterimol/B3: 3.42209
  Sterimol/B4: 6.80855  Sterimol/L: 13.0978 
 
 Surface and Volume Properties
  Accessible surface: 445.063  Positive charged surface: 304.746  Negative charged surface: 140.317  Volume: 234.625
  Hydrophobic surface: 318.576  Hydrophilic surface: 126.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.