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PUBCHEM-ZINC06001543

 MMsINC code: MMs03484166
Type: Neutral
Formula: C7H14N2O3
SMILES:   O(C(=O)C(NC(=O)N)CC)CC
InChI:   InChI=1/C7H14N2O3/c1-3-5(9-7(8)11)6(10)12-4-2/h5H,3-4H2,1-2H3,(H3,8,9,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.13676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.97468  SlogP: -0.0036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630999  Sterimol/B1: 2.42371  Sterimol/B2: 2.96664  Sterimol/B3: 3.17829
  Sterimol/B4: 5.61095  Sterimol/L: 12.7888 
 
 Surface and Volume Properties
  Accessible surface: 385.347  Positive charged surface: 282.501  Negative charged surface: 102.846  Volume: 168.875
  Hydrophobic surface: 199.482  Hydrophilic surface: 185.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.