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ALFAAESAR-ZINC00167196

 MMsINC code: MMs00020654
Type: Ionized
Formula: C8H5F2O3-
SMILES:   FC(F)Oc1ccc(cc1)C(=O)[O-]
InChI:   InChI=1/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)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)=35.3691 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: 0.022116  Sterimol/B1: 2.59351  Sterimol/B2: 2.59659  Sterimol/B3: 2.81414
  Sterimol/B4: 4.87657  Sterimol/L: 11.6501 
 
 Surface and Volume Properties
  Accessible surface: 335.164  Positive charged surface: 134.462  Negative charged surface: 200.702  Volume: 144.625
  Hydrophobic surface: 160.367  Hydrophilic surface: 174.797
 
 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:


MMs00020653
ALFAAESAR-ZINC00167196