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CHEMSTAR-ZINC01707582

 MMsINC code: MMs01079062
Type: Neutral
Formula: C11H7N3O5
SMILES:   O(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1
InChI:   InChI=1/C11H7N3O5/c15-13(16)8-3-4-11(10(6-8)14(17)18)19-9-2-1-5-12-7-9/h1-7H

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Potential Energy
Epot(MMFF94)=93.9078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.193 g/mol  logS: -3.48991  SlogP: 2.6903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074796  Sterimol/B1: 2.44481  Sterimol/B2: 3.94228  Sterimol/B3: 4.41347
  Sterimol/B4: 5.92926  Sterimol/L: 13.6133 
 
 Surface and Volume Properties
  Accessible surface: 433.522  Positive charged surface: 197.544  Negative charged surface: 235.978  Volume: 208.5
  Hydrophobic surface: 258.043  Hydrophilic surface: 175.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.