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ACROSORGANICS-ZINC01690278

 MMsINC code: MMs00011052
Type: Neutral
Formula: C4H3F7O
SMILES:   FC(F)(C(F)(F)C(F)(F)F)CO
InChI:   InChI=1/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2

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Potential Energy
Epot(MMFF94)=42.2982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.053 g/mol  logS: -1.87767  SlogP: 3.0713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203126  Sterimol/B1: 2.96602  Sterimol/B2: 3.04116  Sterimol/B3: 3.22556
  Sterimol/B4: 3.44075  Sterimol/L: 8.74363 
 
 Surface and Volume Properties
  Accessible surface: 289.039  Positive charged surface: 83.9432  Negative charged surface: 205.095  Volume: 112.125
  Hydrophobic surface: 46.2705  Hydrophilic surface: 242.7685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00011053
ACROSORGANICS-ZINC01690278