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NCID-ZINC01760800

 MMsINC code: MMs02367160
Type: Neutral
Formula: C5H8F4O
SMILES:   FC(F)(C(O)(C)C)C(F)F
InChI:   InChI=1/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3

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Potential Energy
Epot(MMFF94)=46.7479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.11 g/mol  logS: -1.27387  SlogP: 2.4975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.374606  Sterimol/B1: 2.10679  Sterimol/B2: 2.70773  Sterimol/B3: 3.87816
  Sterimol/B4: 4.88223  Sterimol/L: 8.74478 
 
 Surface and Volume Properties
  Accessible surface: 291.282  Positive charged surface: 129.594  Negative charged surface: 161.688  Volume: 119.625
  Hydrophobic surface: 96.9283  Hydrophilic surface: 194.3537
 
 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: no related molecules available.