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ALFAAESAR-ZINC04255174

 MMsINC code: MMs00024610
Type: Neutral
Formula: C7H5F2NO3
SMILES:   FC(F)Oc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.117 g/mol  logS: -2.30936  SlogP: 2.6161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251037  Sterimol/B1: 2.63611  Sterimol/B2: 2.64003  Sterimol/B3: 2.89782
  Sterimol/B4: 4.84057  Sterimol/L: 11.5332 
 
 Surface and Volume Properties
  Accessible surface: 333.31  Positive charged surface: 124.403  Negative charged surface: 208.906  Volume: 140.125
  Hydrophobic surface: 163.606  Hydrophilic surface: 169.704
 
 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.