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PUBCHEM-ZINC05514582

 MMsINC code: MMs03294098
Type: Neutral
Formula: C13H10FN3O2
SMILES:   Fc1ccccc1\C=N\Nc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C13H10FN3O2/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(18)19/h1-9,16H/b15-9+

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Potential Energy
Epot(MMFF94)=79.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.24 g/mol  logS: -4.09212  SlogP: 3.1799  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.60383e-07  Sterimol/B1: 2.09887  Sterimol/B2: 2.10028  Sterimol/B3: 3.79415
  Sterimol/B4: 4.57801  Sterimol/L: 16.2767 
 
 Surface and Volume Properties
  Accessible surface: 474.28  Positive charged surface: 223.269  Negative charged surface: 251.011  Volume: 229.375
  Hydrophobic surface: 348.771  Hydrophilic surface: 125.509
 
 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.