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PUBCHEM-ZINC06791962

 MMsINC code: MMs03860385
Type: Neutral
Formula: C7H14N4O4
SMILES:   OC(=O)C(NC(=O)N(N=O)C)CCCN
InChI:   InChI=1/C7H14N4O4/c1-11(10-15)7(14)9-5(6(12)13)3-2-4-8/h5H,2-4,8H2,1H3,(H,9,14)(H,12,13)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=15.8595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.213 g/mol  logS: -0.12842  SlogP: -0.4987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951427  Sterimol/B1: 2.62433  Sterimol/B2: 3.12967  Sterimol/B3: 4.03184
  Sterimol/B4: 6.91067  Sterimol/L: 12.3752 
 
 Surface and Volume Properties
  Accessible surface: 433.15  Positive charged surface: 289.56  Negative charged surface: 143.59  Volume: 189.75
  Hydrophobic surface: 242.414  Hydrophilic surface: 190.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.