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PUBCHEM-ZINC05765347

 MMsINC code: MMs03378939
Type: Neutral
Formula: C10H14F2O
SMILES:   FC1(F)C2CC(=O)C(C1)(C)C2(C)C
InChI:   InChI=1/C10H14F2O/c1-8(2)6-4-7(13)9(8,3)5-10(6,11)12/h6H,4-5H2,1-3H3/t6-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=68.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.217 g/mol  logS: -2.27339  SlogP: 3.0668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.833644  Sterimol/B1: 2.4743  Sterimol/B2: 2.55552  Sterimol/B3: 5.07773
  Sterimol/B4: 5.49425  Sterimol/L: 8.30981 
 
 Surface and Volume Properties
  Accessible surface: 340.194  Positive charged surface: 184.899  Negative charged surface: 155.295  Volume: 174.875
  Hydrophobic surface: 199.688  Hydrophilic surface: 140.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.