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APOLLO-ZINC04218624

 MMsINC code: MMs00056925
Type: Neutral
Formula: C5H7F3O3
SMILES:   FC(F)(F)C(O)(CC(O)=O)C
InChI:   InChI=1/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=35.0981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.102 g/mol  logS: -0.67596  SlogP: 1.1943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265098  Sterimol/B1: 1.969  Sterimol/B2: 3.03116  Sterimol/B3: 3.53863
  Sterimol/B4: 4.97049  Sterimol/L: 9.63489 
 
 Surface and Volume Properties
  Accessible surface: 298.849  Positive charged surface: 135.656  Negative charged surface: 163.194  Volume: 124.125
  Hydrophobic surface: 69.8783  Hydrophilic surface: 228.9707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00056926
APOLLO-ZINC04218624