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PUBCHEM-ZINC02046976

 MMsINC code: MMs02865208
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(=O)CCCCCC(NC(O)=O)C(N)C
InChI:   InChI=1/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=-9.27328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.44446  SlogP: 1.0049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043076  Sterimol/B1: 2.60938  Sterimol/B2: 3.09718  Sterimol/B3: 3.97528
  Sterimol/B4: 5.66062  Sterimol/L: 15.5513 
 
 Surface and Volume Properties
  Accessible surface: 474.886  Positive charged surface: 340.191  Negative charged surface: 134.695  Volume: 224.125
  Hydrophobic surface: 208.11  Hydrophilic surface: 266.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.