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ENAMINE-ZINC03167796

 MMsINC code: MMs01293219
Type: Neutral
Formula: C6H7F3O5
SMILES:   FC(F)(F)C(O)(CC(O)=O)C(OC)=O
InChI:   InChI=1/C6H7F3O5/c1-14-4(12)5(13,2-3(10)11)6(7,8)9/h13H,2H2,1H3,(H,10,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=21.6607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.111 g/mol  logS: -0.75692  SlogP: 0.3474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.186805  Sterimol/B1: 2.99405  Sterimol/B2: 3.34325  Sterimol/B3: 3.53686
  Sterimol/B4: 5.2503  Sterimol/L: 10.0544 
 
 Surface and Volume Properties
  Accessible surface: 349.921  Positive charged surface: 181.315  Negative charged surface: 168.605  Volume: 148.375
  Hydrophobic surface: 122.013  Hydrophilic surface: 227.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01293220
ENAMINE-ZINC03167796