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ALFAAESAR-ZINC02579169

 MMsINC code: MMs00024101
Type: Ionized
Formula: C5H6F3O2-
SMILES:   FC(F)(F)C(CC(=O)[O-])C
InChI:   InChI=1/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)/p-1/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=9.48527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.095 g/mol  logS: -1.21528  SlogP: 0.7447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253511  Sterimol/B1: 2.08692  Sterimol/B2: 2.61956  Sterimol/B3: 3.34663
  Sterimol/B4: 4.95121  Sterimol/L: 9.17129 
 
 Surface and Volume Properties
  Accessible surface: 288.407  Positive charged surface: 107.78  Negative charged surface: 180.626  Volume: 115.625
  Hydrophobic surface: 84.7849  Hydrophilic surface: 203.6221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00024100
ALFAAESAR-ZINC02579169