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OAKWOOD-ZINC04255271

 MMsINC code: MMs02550257
Type: Neutral
Formula: C8H8F2O
SMILES:   Fc1cc(cc(F)c1)CCO
InChI:   InChI=1/C8H8F2O/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5,11H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.4308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.147 g/mol  logS: -1.80733  SlogP: 1.49957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0900912  Sterimol/B1: 2.6166  Sterimol/B2: 2.66811  Sterimol/B3: 2.80254
  Sterimol/B4: 5.06194  Sterimol/L: 10.817 
 
 Surface and Volume Properties
  Accessible surface: 329.063  Positive charged surface: 182.43  Negative charged surface: 146.633  Volume: 141.125
  Hydrophobic surface: 275.481  Hydrophilic surface: 53.582
 
 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.