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PUBCHEM-ZINC05965705

 MMsINC code: MMs03465763
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(=O)C(N)CN(C(O)=O)C
InChI:   InChI=1/C5H10N2O4/c1-7(5(10)11)2-3(6)4(8)9/h3H,2,6H2,1H3,(H,8,9)(H,10,11)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=6.87147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.99119  SlogP: -0.9919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133797  Sterimol/B1: 2.25893  Sterimol/B2: 2.53238  Sterimol/B3: 3.56477
  Sterimol/B4: 5.22568  Sterimol/L: 10.3764 
 
 Surface and Volume Properties
  Accessible surface: 328.683  Positive charged surface: 227.254  Negative charged surface: 101.429  Volume: 138.625
  Hydrophobic surface: 105.752  Hydrophilic surface: 222.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.