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NCID-ZINC04582790

 MMsINC code: MMs02391933
Type: Neutral
Formula: C6H14N2O6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NN
InChI:   InChI=1/C6H14N2O6/c7-8-6(14)5(13)4(12)3(11)2(10)1-9/h2-5,9-13H,1,7H2,(H,8,14)/t2-,3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=97.2717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.186 g/mol  logS: 1.16367  SlogP: -4.5878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11123  Sterimol/B1: 2.95293  Sterimol/B2: 3.40113  Sterimol/B3: 3.6982
  Sterimol/B4: 4.17686  Sterimol/L: 13.1706 
 
 Surface and Volume Properties
  Accessible surface: 390.083  Positive charged surface: 263.057  Negative charged surface: 127.026  Volume: 174.75
  Hydrophobic surface: 80.059  Hydrophilic surface: 310.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.