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ASINEX-ZINC04832881

 MMsINC code: MMs00375837
Type: Neutral
Formula: C5H9N5O4
SMILES:   OC(=O)CN(CC(O)=O)C1NN=NN1
InChI:   InChI=1/C5H9N5O4/c11-3(12)1-10(2-4(13)14)5-6-8-9-7-5/h5H,1-2H2,(H,6,9)(H,7,8)(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=33.7041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.158 g/mol  logS: 1.50056  SlogP: -1.7838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233294  Sterimol/B1: 2.97768  Sterimol/B2: 3.679  Sterimol/B3: 3.80955
  Sterimol/B4: 5.2163  Sterimol/L: 10.4271 
 
 Surface and Volume Properties
  Accessible surface: 360.523  Positive charged surface: 202.062  Negative charged surface: 158.461  Volume: 158.75
  Hydrophobic surface: 114.754  Hydrophilic surface: 245.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00375838
ASINEX-ZINC04832881