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PUBCHEM-ZINC05131859

 MMsINC code: MMs03206762
Type: Neutral
Formula: C6H14N2O5
SMILES:   O1C(CO)C(O)C(O)C(O)C1NN
InChI:   InChI=1/C6H14N2O5/c7-8-6-5(12)4(11)3(10)2(1-9)13-6/h2-6,8-12H,1,7H2/t2-,3-,4+,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=79.402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.187 g/mol  logS: 1.37612  SlogP: -3.7504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173775  Sterimol/B1: 2.98993  Sterimol/B2: 3.31396  Sterimol/B3: 3.32671
  Sterimol/B4: 6.89904  Sterimol/L: 10.2216 
 
 Surface and Volume Properties
  Accessible surface: 376.391  Positive charged surface: 290.326  Negative charged surface: 86.0652  Volume: 166.25
  Hydrophobic surface: 108.95  Hydrophilic surface: 267.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.