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PUBCHEM-ZINC05856806

 MMsINC code: MMs03420116
Type: Neutral
Formula: C8H16N2O4
SMILES:   O(C(=O)C(N)C(N)C(OCC)=O)CC
InChI:   InChI=1/C8H16N2O4/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6H,3-4,9-10H2,1-2H3/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=59.2935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -0.44402  SlogP: -1.2328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961301  Sterimol/B1: 2.16315  Sterimol/B2: 3.41925  Sterimol/B3: 3.9242
  Sterimol/B4: 5.80789  Sterimol/L: 14.0733 
 
 Surface and Volume Properties
  Accessible surface: 444.439  Positive charged surface: 328.503  Negative charged surface: 115.936  Volume: 194.125
  Hydrophobic surface: 243.283  Hydrophilic surface: 201.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.