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ACROSORGANICS-ZINC02584303

 MMsINC code: MMs00014848
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(F)(C(F)C(F)(F)F)CO
InChI:   InChI=1/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=30.9753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.49802  SlogP: 2.7741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184477  Sterimol/B1: 2.70529  Sterimol/B2: 3.05611  Sterimol/B3: 3.24833
  Sterimol/B4: 3.46948  Sterimol/L: 8.74147 
 
 Surface and Volume Properties
  Accessible surface: 285.182  Positive charged surface: 103.744  Negative charged surface: 181.438  Volume: 108.125
  Hydrophobic surface: 63.9987  Hydrophilic surface: 221.1833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00014849
ACROSORGANICS-ZINC02584303