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PUBCHEM-ZINC03606232

 MMsINC code: MMs03020311
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC1C(O)C(=NCC1O)NO
InChI:   InChI=1/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m0/s1

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Potential Energy
Epot(MMFF94)=78.0021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.69152  SlogP: -2.54  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941446  Sterimol/B1: 2.38292  Sterimol/B2: 2.57527  Sterimol/B3: 3.15947
  Sterimol/B4: 5.77233  Sterimol/L: 10.2757 
 
 Surface and Volume Properties
  Accessible surface: 327.585  Positive charged surface: 234.528  Negative charged surface: 93.0567  Volume: 133.5
  Hydrophobic surface: 94.6144  Hydrophilic surface: 232.9706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.