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CHEMBRIDGE-ZINC02487636

 MMsINC code: MMs00710575
Type: Neutral
Formula: C12H6F4O4
SMILES:   Fc1c(OCc2oc(cc2)C(O)=O)c(F)c(F)cc1F
InChI:   InChI=1/C12H6F4O4/c13-6-3-7(14)10(16)11(9(6)15)19-4-5-1-2-8(20-5)12(17)18/h1-3H,4H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.2012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.168 g/mol  logS: -4.25697  SlogP: 3.3796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016918  Sterimol/B1: 2.46294  Sterimol/B2: 2.59608  Sterimol/B3: 2.7183
  Sterimol/B4: 5.88414  Sterimol/L: 14.9563 
 
 Surface and Volume Properties
  Accessible surface: 459.615  Positive charged surface: 200.812  Negative charged surface: 258.803  Volume: 213.75
  Hydrophobic surface: 334.094  Hydrophilic surface: 125.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00710576
CHEMBRIDGE-ZINC02487636