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ACROSORGANICS-ZINC00388530

 MMsINC code: MMs00007051
Type: Neutral
Formula: C6H4F2O
SMILES:   Fc1cccc(F)c1O
InChI:   InChI=1/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.7433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.093 g/mol  logS: -1.61289  SlogP: 1.6704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152787  Sterimol/B1: 2.097  Sterimol/B2: 2.29773  Sterimol/B3: 3.86842
  Sterimol/B4: 3.8689  Sterimol/L: 8.45872 
 
 Surface and Volume Properties
  Accessible surface: 272.701  Positive charged surface: 126.628  Negative charged surface: 146.073  Volume: 104.125
  Hydrophobic surface: 223.11  Hydrophilic surface: 49.591
 
 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.