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NCID-ZINC01675522

 MMsINC code: MMs02310864
Type: Neutral
Formula: C4H6F4O
SMILES:   FC(F)C(O)(C(F)F)C
InChI:   InChI=1/C4H6F4O/c1-4(9,2(5)6)3(7)8/h2-3,9H,1H3

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Potential Energy
Epot(MMFF94)=31.2201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.083 g/mol  logS: -0.77143  SlogP: 2.1074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.592541  Sterimol/B1: 2.39874  Sterimol/B2: 3.26341  Sterimol/B3: 3.36369
  Sterimol/B4: 4.73784  Sterimol/L: 7.1258 
 
 Surface and Volume Properties
  Accessible surface: 267.462  Positive charged surface: 112.162  Negative charged surface: 155.3  Volume: 102.875
  Hydrophobic surface: 73.1261  Hydrophilic surface: 194.3359
 
 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.