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OAKWOOD-ZINC02528963

 MMsINC code: MMs02544752
Type: Neutral
Formula: C13H8F2O
SMILES:   Fc1cc(F)ccc1-c1cc(ccc1)C=O
InChI:   InChI=1/C13H8F2O/c14-11-4-5-12(13(15)7-11)10-3-1-2-9(6-10)8-16/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.4154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.202 g/mol  logS: -4.40733  SlogP: 3.4443  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0560387  Sterimol/B1: 2.27337  Sterimol/B2: 2.44708  Sterimol/B3: 3.31302
  Sterimol/B4: 5.79347  Sterimol/L: 13.1577 
 
 Surface and Volume Properties
  Accessible surface: 401.957  Positive charged surface: 193.338  Negative charged surface: 203.828  Volume: 195.5
  Hydrophobic surface: 340.342  Hydrophilic surface: 61.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.