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NCID-ZINC01760797

 MMsINC code: MMs02367158
Type: Neutral
Formula: C4H6F4O
SMILES:   FC(F)(C(O)C)C(F)F
InChI:   InChI=1/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3/t2-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.083 g/mol  logS: -0.94666  SlogP: 2.1074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194646  Sterimol/B1: 2.86485  Sterimol/B2: 2.90461  Sterimol/B3: 2.94594
  Sterimol/B4: 3.86815  Sterimol/L: 8.6904 
 
 Surface and Volume Properties
  Accessible surface: 272.558  Positive charged surface: 123.175  Negative charged surface: 149.383  Volume: 103.25
  Hydrophobic surface: 85.4001  Hydrophilic surface: 187.1579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.