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PUBCHEM-ZINC04096260

 MMsINC code: MMs03089816
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(=O)C(N)CCCCN(O)C(=O)C
InChI:   InChI=1/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=43.6025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: 0.13363  SlogP: -0.1937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578786  Sterimol/B1: 2.67279  Sterimol/B2: 2.76447  Sterimol/B3: 3.37719
  Sterimol/B4: 4.59187  Sterimol/L: 13.8627 
 
 Surface and Volume Properties
  Accessible surface: 426.549  Positive charged surface: 290.667  Negative charged surface: 135.881  Volume: 192.875
  Hydrophobic surface: 207.785  Hydrophilic surface: 218.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.