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PUBCHEM-ZINC05479669

 MMsINC code: MMs03281178
Type: Neutral
Formula: C7H5FN2
SMILES:   Fc1c2nc[nH]c2ccc1
InChI:   InChI=1/C7H5FN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.129 g/mol  logS: -2.09956  SlogP: 1.702  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.0551e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09833  Sterimol/B3: 3.07864
  Sterimol/B4: 5.06662  Sterimol/L: 9.56046 
 
 Surface and Volume Properties
  Accessible surface: 293.472  Positive charged surface: 172.584  Negative charged surface: 120.888  Volume: 120.625
  Hydrophobic surface: 240.397  Hydrophilic surface: 53.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.