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ACROSORGANICS-ZINC02390049

 MMsINC code: MMs00013607
Type: Neutral
Formula: C7H5F3O2
SMILES:   FC(F)(F)Oc1cc(O)ccc1
InChI:   InChI=1/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.7398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.109 g/mol  logS: -2.21226  SlogP: 2.7107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373804  Sterimol/B1: 2.55375  Sterimol/B2: 2.56336  Sterimol/B3: 2.71821
  Sterimol/B4: 5.33226  Sterimol/L: 10.3334 
 
 Surface and Volume Properties
  Accessible surface: 320.454  Positive charged surface: 126.15  Negative charged surface: 194.304  Volume: 132.875
  Hydrophobic surface: 150.818  Hydrophilic surface: 169.636
 
 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.