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PUBCHEM-ZINC05996388

 MMsINC code: MMs03480389
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(=O)C(NC(O)=O)CNC
InChI:   InChI=1/C5H10N2O4/c1-6-2-3(4(8)9)7-5(10)11/h3,6-7H,2H2,1H3,(H,8,9)(H,10,11)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.76565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.80962  SlogP: -1.0734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965022  Sterimol/B1: 2.80907  Sterimol/B2: 2.879  Sterimol/B3: 3.34258
  Sterimol/B4: 5.75835  Sterimol/L: 9.92716 
 
 Surface and Volume Properties
  Accessible surface: 342.87  Positive charged surface: 242.105  Negative charged surface: 100.765  Volume: 141.125
  Hydrophobic surface: 126.413  Hydrophilic surface: 216.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.