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PUBCHEM-ZINC02386143

 MMsINC code: MMs02886514
Type: Neutral
Formula: C7H6FNO3
SMILES:   Fc1ccc(cc1[N+](=O)[O-])CO
InChI:   InChI=1/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.3904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.127 g/mol  logS: -2.24111  SlogP: 1.4926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427687  Sterimol/B1: 2.24476  Sterimol/B2: 2.87725  Sterimol/B3: 2.97807
  Sterimol/B4: 5.82371  Sterimol/L: 10.6064 
 
 Surface and Volume Properties
  Accessible surface: 327.648  Positive charged surface: 155.02  Negative charged surface: 172.628  Volume: 138.875
  Hydrophobic surface: 183.86  Hydrophilic surface: 143.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.