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CHEMBRIDGE-ZINC00272493

 MMsINC code: MMs00599588
Type: Neutral
Formula: C11H13N3O2
SMILES:   O=[N+]([O-])c1cc(NN=C2CCCC2)ccc1
InChI:   InChI=1/C11H13N3O2/c15-14(16)11-7-3-6-10(8-11)13-12-9-4-1-2-5-9/h3,6-8,13H,1-2,4-5H2

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Potential Energy
Epot(MMFF94)=63.9864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.244 g/mol  logS: -2.64426  SlogP: 2.9367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204743  Sterimol/B1: 2.53422  Sterimol/B2: 2.75729  Sterimol/B3: 2.922
  Sterimol/B4: 6.30596  Sterimol/L: 14.6991 
 
 Surface and Volume Properties
  Accessible surface: 443.117  Positive charged surface: 251.394  Negative charged surface: 191.723  Volume: 206.625
  Hydrophobic surface: 334.906  Hydrophilic surface: 108.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.