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PUBCHEM-ZINC05513718

 MMsINC code: MMs03293522
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(CC(O)=O)CN(N=O)CCCC
InChI:   InChI=1/C8H16N2O4/c1-2-3-4-10(9-14)6-7(11)5-8(12)13/h7,11H,2-6H2,1H3,(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -0.51025  SlogP: 0.6055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770557  Sterimol/B1: 2.38256  Sterimol/B2: 2.4424  Sterimol/B3: 3.74297
  Sterimol/B4: 5.72169  Sterimol/L: 14.4447 
 
 Surface and Volume Properties
  Accessible surface: 423.614  Positive charged surface: 269.872  Negative charged surface: 153.742  Volume: 194.5
  Hydrophobic surface: 275.156  Hydrophilic surface: 148.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03293523
PUBCHEM-ZINC05513718