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PUBCHEM-ZINC03072872

 MMsINC code: MMs02989431
Type: Neutral
Formula: C7H14N2O2
SMILES:   O=C(NCC(C)C)C(=O)NC
InChI:   InChI=1/C7H14N2O2/c1-5(2)4-9-7(11)6(10)8-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=20.9312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: -0.66643  SlogP: -0.4954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448412  Sterimol/B1: 2.1066  Sterimol/B2: 2.52641  Sterimol/B3: 3.40298
  Sterimol/B4: 4.85091  Sterimol/L: 13.2713 
 
 Surface and Volume Properties
  Accessible surface: 382.579  Positive charged surface: 285.069  Negative charged surface: 97.5099  Volume: 163.875
  Hydrophobic surface: 233.332  Hydrophilic surface: 149.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.