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APOLLO-ZINC02560186

 MMsINC code: MMs00053803
Type: Ionized
Formula: C10H5F4O2-
SMILES:   Fc1cc(ccc1\C=C\C(=O)[O-])C(F)(F)F
InChI:   InChI=1/C10H6F4O2/c11-8-5-7(10(12,13)14)3-1-6(8)2-4-9(15)16/h1-5H,(H,15,16)/p-1/b4-2+

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Potential Energy
Epot(MMFF94)=31.2694 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: 0.0276656  Sterimol/B1: 2.18397  Sterimol/B2: 2.48164  Sterimol/B3: 3.13512
  Sterimol/B4: 5.26077  Sterimol/L: 12.799 
 
 Surface and Volume Properties
  Accessible surface: 387.989  Positive charged surface: 115.307  Negative charged surface: 272.682  Volume: 174.875
  Hydrophobic surface: 175.551  Hydrophilic surface: 212.438
 
 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:


MMs00053802
APOLLO-ZINC02560186