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PUBCHEM-ZINC05731235

 MMsINC code: MMs03363218
Type: Neutral
Formula: C8H5FN2O2
SMILES:   Fc1c2[nH]c(O)c(N=O)c2ccc1
InChI:   InChI=1/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,10,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.0304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.138 g/mol  logS: -2.37601  SlogP: 2.4105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00620887  Sterimol/B1: 2.097  Sterimol/B2: 2.27901  Sterimol/B3: 3.09626
  Sterimol/B4: 5.06671  Sterimol/L: 10.1873 
 
 Surface and Volume Properties
  Accessible surface: 334.597  Positive charged surface: 139.145  Negative charged surface: 188.793  Volume: 145.125
  Hydrophobic surface: 252.957  Hydrophilic surface: 81.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.