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ACROSORGANICS-ZINC00057042

 MMsINC code: MMs00003369
Type: Ionized
Formula: C8H3F4O2-
SMILES:   Fc1cc(ccc1C(F)(F)F)C(=O)[O-]
InChI:   InChI=1/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.102 g/mol  logS: -2.96626  SlogP: 1.5195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266943  Sterimol/B1: 2.47373  Sterimol/B2: 2.58326  Sterimol/B3: 2.58586
  Sterimol/B4: 5.02808  Sterimol/L: 10.2901 
 
 Surface and Volume Properties
  Accessible surface: 330.802  Positive charged surface: 81.087  Negative charged surface: 249.715  Volume: 143.5
  Hydrophobic surface: 143.275  Hydrophilic surface: 187.527
 
 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:


MMs00003368
ACROSORGANICS-ZINC00057042