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APOLLO-ZINC00163314

 MMsINC code: MMs00047096
Type: Neutral
Formula: C8H6FNO3
SMILES:   Fc1ccc([N+](=O)[O-])cc1C(=O)C
InChI:   InChI=1/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.138 g/mol  logS: -2.78236  SlogP: 1.9365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172438  Sterimol/B1: 2.09954  Sterimol/B2: 2.51237  Sterimol/B3: 3.91078
  Sterimol/B4: 5.25057  Sterimol/L: 10.5496 
 
 Surface and Volume Properties
  Accessible surface: 340.259  Positive charged surface: 137.159  Negative charged surface: 203.1  Volume: 150
  Hydrophobic surface: 218.959  Hydrophilic surface: 121.3
 
 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.