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PUBCHEM-ZINC00570612

 MMsINC code: MMs02706579
Type: Neutral
Formula: C12H8FNO3
SMILES:   Fc1ccc(Oc2ccccc2[N+](=O)[O-])cc1
InChI:   InChI=1/C12H8FNO3/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.2738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.198 g/mol  logS: -4.2528  SlogP: 3.5262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12305  Sterimol/B1: 2.96186  Sterimol/B2: 3.61504  Sterimol/B3: 3.64061
  Sterimol/B4: 6.35946  Sterimol/L: 12.515 
 
 Surface and Volume Properties
  Accessible surface: 414.326  Positive charged surface: 181.774  Negative charged surface: 232.552  Volume: 199.5
  Hydrophobic surface: 335.976  Hydrophilic surface: 78.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.