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PUBCHEM-ZINC05829889

 MMsINC code: MMs03404837
Type: Neutral
Formula: C6H14N4O4
SMILES:   OC1C(O)C(O)C2N(NNN2)C1CO
InChI:   InChI=1/C6H14N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-9,11-14H,1H2/t2-,3+,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=79.0846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.202 g/mol  logS: 1.72311  SlogP: -4.4009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15636  Sterimol/B1: 2.5652  Sterimol/B2: 2.96793  Sterimol/B3: 3.17595
  Sterimol/B4: 6.27669  Sterimol/L: 10.4349 
 
 Surface and Volume Properties
  Accessible surface: 364.785  Positive charged surface: 270.574  Negative charged surface: 94.2115  Volume: 172
  Hydrophobic surface: 108.669  Hydrophilic surface: 256.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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.