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PUBCHEM-ZINC05112798

 MMsINC code: MMs03201218
Type: Neutral
Formula: C5H4ClF7O
SMILES:   ClC(F)C(F)(F)OCC(F)(F)C(F)F
InChI:   InChI=1/C5H4ClF7O/c6-2(7)5(12,13)14-1-4(10,11)3(8)9/h2-3H,1H2/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=48.4976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.525 g/mol  logS: -2.69363  SlogP: 4.7102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143313  Sterimol/B1: 2.44608  Sterimol/B2: 3.01988  Sterimol/B3: 3.40128
  Sterimol/B4: 4.0674  Sterimol/L: 11.4139 
 
 Surface and Volume Properties
  Accessible surface: 356.12  Positive charged surface: 76.4563  Negative charged surface: 279.664  Volume: 145.375
  Hydrophobic surface: 62.1291  Hydrophilic surface: 293.9909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.