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PUBCHEM-ZINC05479792

 MMsINC code: MMs03281214
Type: Neutral
Formula: C5H8N2O5
SMILES:   OC(=O)CN(CC(O)=O)C(=O)N
InChI:   InChI=1/C5H8N2O5/c6-5(12)7(1-3(8)9)2-4(10)11/h1-2H2,(H2,6,12)(H,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=3.22973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.128 g/mol  logS: 0.40399  SlogP: -1.4637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163221  Sterimol/B1: 2.40439  Sterimol/B2: 3.07668  Sterimol/B3: 3.82876
  Sterimol/B4: 4.94926  Sterimol/L: 10.5126 
 
 Surface and Volume Properties
  Accessible surface: 336.035  Positive charged surface: 204.458  Negative charged surface: 131.578  Volume: 140.375
  Hydrophobic surface: 51.9382  Hydrophilic surface: 284.0968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03281215
PUBCHEM-ZINC05479792