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ACROSORGANICS-ZINC00120054

 MMsINC code: MMs00004227
Type: Ionized
Formula: C9H3F6O2-
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)[O-]
InChI:   InChI=1/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=44.7151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.109 g/mol  logS: -3.72783  SlogP: 2.7107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558511  Sterimol/B1: 2.5822  Sterimol/B2: 2.58614  Sterimol/B3: 4.61949
  Sterimol/B4: 4.66935  Sterimol/L: 10.2492 
 
 Surface and Volume Properties
  Accessible surface: 371.368  Positive charged surface: 58.6282  Negative charged surface: 312.74  Volume: 165.375
  Hydrophobic surface: 81.523  Hydrophilic surface: 289.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00004226
ACROSORGANICS-ZINC00120054