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ACROSORGANICS-ZINC00164758

 MMsINC code: MMs00006265
Type: Neutral
Formula: C7H6F2O
SMILES:   Fc1cc(cc(F)c1)CO
InChI:   InChI=1/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.6102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.12 g/mol  logS: -1.74586  SlogP: 1.7235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055175  Sterimol/B1: 2.23621  Sterimol/B2: 2.66749  Sterimol/B3: 2.87089
  Sterimol/B4: 5.06256  Sterimol/L: 9.69109 
 
 Surface and Volume Properties
  Accessible surface: 302.576  Positive charged surface: 156.448  Negative charged surface: 146.128  Volume: 123.375
  Hydrophobic surface: 239.13  Hydrophilic surface: 63.446
 
 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.