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APOLLO-ZINC00158508

 MMsINC code: MMs00044943
Type: Neutral
Formula: C7H5F3O3
SMILES:   FC(F)(F)c1oc(cc1C(O)=O)C
InChI:   InChI=1/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=25.1448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.108 g/mol  logS: -2.47579  SlogP: 2.61652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475463  Sterimol/B1: 2.51208  Sterimol/B2: 2.81552  Sterimol/B3: 4.29545
  Sterimol/B4: 4.60552  Sterimol/L: 9.73841 
 
 Surface and Volume Properties
  Accessible surface: 341.177  Positive charged surface: 133.734  Negative charged surface: 207.443  Volume: 140.625
  Hydrophobic surface: 144.119  Hydrophilic surface: 197.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00044944
APOLLO-ZINC00158508