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ACROSORGANICS-ZINC03861259

 MMsINC code: MMs00015796
Type: Neutral
Formula: C4HF7O2
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(O)=O
InChI:   InChI=1/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)

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Potential Energy
Epot(MMFF94)=33.4764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.036 g/mol  logS: -2.07605  SlogP: 3.1636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154894  Sterimol/B1: 2.84117  Sterimol/B2: 2.93265  Sterimol/B3: 2.98112
  Sterimol/B4: 3.18384  Sterimol/L: 9.55308 
 
 Surface and Volume Properties
  Accessible surface: 289.643  Positive charged surface: 48.8506  Negative charged surface: 240.792  Volume: 113.375
  Hydrophobic surface: 0  Hydrophilic surface: 289.643
 
 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


MMs00015797
ACROSORGANICS-ZINC03861259