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PUBCHEM-ZINC00443066

 MMsINC code: MMs02684265
Type: Neutral
Formula: C15H8F3N3O3
SMILES:   FC(F)(F)c1ccc(cc1)-c1nc(on1)-c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H8F3N3O3/c16-15(17,18)11-5-1-9(2-6-11)13-19-14(24-20-13)10-3-7-12(8-4-10)21(22)23/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.241 g/mol  logS: -7.88435  SlogP: 4.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00397591  Sterimol/B1: 2.15503  Sterimol/B2: 2.60974  Sterimol/B3: 2.81643
  Sterimol/B4: 5.31008  Sterimol/L: 18.1031 
 
 Surface and Volume Properties
  Accessible surface: 519.297  Positive charged surface: 176.024  Negative charged surface: 343.272  Volume: 261.875
  Hydrophobic surface: 286.863  Hydrophilic surface: 232.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.