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PUBCHEM-ZINC04329694

 MMsINC code: MMs03114136
Type: Neutral
Formula: C15H9FN4O4
SMILES:   Fc1ccc(cc1)-c1oc(nn1)NC(=O)c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C15H9FN4O4/c16-10-7-5-9(6-8-10)14-18-19-15(24-14)17-13(21)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21)

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Potential Energy
Epot(MMFF94)=81.6538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.259 g/mol  logS: -7.00885  SlogP: 3.0362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246947  Sterimol/B1: 2.29564  Sterimol/B2: 2.46655  Sterimol/B3: 3.65234
  Sterimol/B4: 6.42461  Sterimol/L: 17.9003 
 
 Surface and Volume Properties
  Accessible surface: 530.041  Positive charged surface: 234.749  Negative charged surface: 295.291  Volume: 265.75
  Hydrophobic surface: 354.483  Hydrophilic surface: 175.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.