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NCID-ZINC01623680

 MMsINC code: MMs02270969
Type: Neutral
Formula: C13H8F6O
SMILES:   FC(F)(F)C(=CC(=O)\C=C\c1ccccc1)C(F)(F)F
InChI:   InChI=1/C13H8F6O/c14-12(15,16)11(13(17,18)19)8-10(20)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+

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Potential Energy
Epot(MMFF94)=37.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.194 g/mol  logS: -4.877  SlogP: 5.1597  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0140387  Sterimol/B1: 2.54583  Sterimol/B2: 2.66889  Sterimol/B3: 3.45824
  Sterimol/B4: 4.34509  Sterimol/L: 15.0204 
 
 Surface and Volume Properties
  Accessible surface: 462.499  Positive charged surface: 145.672  Negative charged surface: 316.827  Volume: 223.875
  Hydrophobic surface: 258.599  Hydrophilic surface: 203.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.