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OAKWOOD-ZINC04243704

 MMsINC code: MMs02548965
Type: Neutral
Formula: C12H12F2O4
SMILES:   FC(F)C(=O)\C=C(/O)\c1cc(OC)c(OC)cc1
InChI:   InChI=1/C12H12F2O4/c1-17-10-4-3-7(5-11(10)18-2)8(15)6-9(16)12(13)14/h3-6,12,15H,1-2H3/b8-6-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.9985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.22 g/mol  logS: -2.49856  SlogP: 2.8568  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0168786  Sterimol/B1: 1.969  Sterimol/B2: 2.36996  Sterimol/B3: 2.61284
  Sterimol/B4: 7.58219  Sterimol/L: 14.2073 
 
 Surface and Volume Properties
  Accessible surface: 454.894  Positive charged surface: 286.594  Negative charged surface: 168.3  Volume: 218.125
  Hydrophobic surface: 297.221  Hydrophilic surface: 157.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02548968
OAKWOOD-ZINC04243704


MMs02548967
OAKWOOD-ZINC04243704


MMs02548969
OAKWOOD-ZINC04243704


MMs02548966
OAKWOOD-ZINC04243704