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ACROSORGANICS-ZINC00120202

 MMsINC code: MMs00004250
Type: Neutral
Formula: C10H6F6O2
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)CC(O)=O
InChI:   InChI=1/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.144 g/mol  logS: -3.52885  SlogP: 3.97427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113879  Sterimol/B1: 2.53466  Sterimol/B2: 3.62178  Sterimol/B3: 3.77598
  Sterimol/B4: 6.17014  Sterimol/L: 10.9816 
 
 Surface and Volume Properties
  Accessible surface: 408.868  Positive charged surface: 126.057  Negative charged surface: 282.81  Volume: 188.125
  Hydrophobic surface: 107.935  Hydrophilic surface: 300.933
 
 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


MMs00004251
ACROSORGANICS-ZINC00120202