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PUBCHEM-ZINC02029300

 MMsINC code: MMs02858476
Type: Neutral
Formula: C8H10N4O4
SMILES:   Oc1c(O)c(ccc1C(=O)NN)C(=O)NN
InChI:   InChI=1/C8H10N4O4/c9-11-7(15)3-1-2-4(8(16)12-10)6(14)5(3)13/h1-2,13-14H,9-10H2,(H,11,15)(H,12,16)

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Potential Energy
Epot(MMFF94)=123.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.192 g/mol  logS: -1.12508  SlogP: -1.6952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00755108  Sterimol/B1: 2.19009  Sterimol/B2: 2.29555  Sterimol/B3: 2.42015
  Sterimol/B4: 5.36873  Sterimol/L: 13.821 
 
 Surface and Volume Properties
  Accessible surface: 403.382  Positive charged surface: 257.92  Negative charged surface: 145.462  Volume: 186.625
  Hydrophobic surface: 80.3732  Hydrophilic surface: 323.0088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.