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ALFAAESAR-ZINC02560192

 MMsINC code: MMs00023698
Type: Ionized
Formula: C10H5F4O2-
SMILES:   Fc1ccc(cc1C(F)(F)F)\C=C\C(=O)[O-]
InChI:   InChI=1/C10H6F4O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/p-1/b4-2+

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Potential Energy
Epot(MMFF94)=18.9145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.14 g/mol  logS: -3.47208  SlogP: 1.9191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303376  Sterimol/B1: 2.20808  Sterimol/B2: 2.94508  Sterimol/B3: 3.06047
  Sterimol/B4: 5.46084  Sterimol/L: 12.4674 
 
 Surface and Volume Properties
  Accessible surface: 387.107  Positive charged surface: 119.007  Negative charged surface: 268.099  Volume: 175.5
  Hydrophobic surface: 175.704  Hydrophilic surface: 211.403
 
 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:


MMs00023697
ALFAAESAR-ZINC02560192