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APOLLO-ZINC00373228

 MMsINC code: MMs00048735
Type: Ionized
Formula: C8H5F2O3-
SMILES:   FC(F)Oc1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C8H6F2O3/c9-8(10)13-6-3-1-2-5(4-6)7(11)12/h1-4,8H,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.5959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.121 g/mol  logS: -1.74898  SlogP: 1.0714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237159  Sterimol/B1: 2.57114  Sterimol/B2: 2.59405  Sterimol/B3: 2.59525
  Sterimol/B4: 5.86138  Sterimol/L: 11.2558 
 
 Surface and Volume Properties
  Accessible surface: 331.339  Positive charged surface: 132.44  Negative charged surface: 198.898  Volume: 146
  Hydrophobic surface: 158.776  Hydrophilic surface: 172.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00048734
APOLLO-ZINC00373228