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OAKWOOD-ZINC04243664

 MMsINC code: MMs02548878
Type: Neutral
Formula: C9H5F5O3
SMILES:   FC(F)(C(=O)\C=C(/O)\c1occc1)C(F)(F)F
InChI:   InChI=1/C9H5F5O3/c10-8(11,9(12,13)14)7(16)4-5(15)6-2-1-3-17-6/h1-4,15H/b5-4-

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Potential Energy
Epot(MMFF94)=46.8595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.126 g/mol  logS: -3.40759  SlogP: 3.785  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0500195  Sterimol/B1: 3.24899  Sterimol/B2: 3.29804  Sterimol/B3: 3.60261
  Sterimol/B4: 4.20786  Sterimol/L: 12.5121 
 
 Surface and Volume Properties
  Accessible surface: 391.051  Positive charged surface: 110.819  Negative charged surface: 280.232  Volume: 175.625
  Hydrophobic surface: 168.753  Hydrophilic surface: 222.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02548879
OAKWOOD-ZINC04243664


MMs02548880
OAKWOOD-ZINC04243664


MMs02548881
OAKWOOD-ZINC04243664


MMs02548882
OAKWOOD-ZINC04243664