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MDPI-ZINC04293852

 MMsINC code: MMs02187527
Type: Neutral
Formula: C13H9F2NO
SMILES:   Fc1ccc(cc1)C(=NO)c1ccc(F)cc1
InChI:   InChI=1/C13H9F2NO/c14-11-5-1-9(2-6-11)13(16-17)10-3-7-12(15)8-4-10/h1-8,17H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.6229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.217 g/mol  logS: -3.86287  SlogP: 3.1914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554528  Sterimol/B1: 2.59345  Sterimol/B2: 3.00179  Sterimol/B3: 4.22028
  Sterimol/B4: 5.15463  Sterimol/L: 12.6744 
 
 Surface and Volume Properties
  Accessible surface: 418.882  Positive charged surface: 204.895  Negative charged surface: 213.988  Volume: 205.75
  Hydrophobic surface: 352.162  Hydrophilic surface: 66.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.