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PUBCHEM-ZINC05157239

 MMsINC code: MMs03213699
Type: Neutral
Formula: C5H8N2O4
SMILES:   O1NC(=O)CC1C(N)C(O)=O
InChI:   InChI=1/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)/t2-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=29.5351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.129 g/mol  logS: 0.26437  SlogP: -1.7816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232822  Sterimol/B1: 2.55565  Sterimol/B2: 3.11099  Sterimol/B3: 3.39298
  Sterimol/B4: 3.83352  Sterimol/L: 10.4111 
 
 Surface and Volume Properties
  Accessible surface: 318.32  Positive charged surface: 199.295  Negative charged surface: 119.025  Volume: 128.25
  Hydrophobic surface: 73.6354  Hydrophilic surface: 244.6846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.