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PUBCHEM-ZINC05830082

 MMsINC code: MMs03404974
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)=75.0475 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: 0.123929  Sterimol/B1: 2.57213  Sterimol/B2: 3.20462  Sterimol/B3: 3.24801
  Sterimol/B4: 6.31144  Sterimol/L: 10.3671 
 
 Surface and Volume Properties
  Accessible surface: 368.037  Positive charged surface: 269.487  Negative charged surface: 98.5499  Volume: 171.375
  Hydrophobic surface: 105.857  Hydrophilic surface: 262.18
 
 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.