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PUBCHEM-ZINC05131690

 MMsINC code: MMs03206563
Type: Neutral
Formula: C3H3Cl2F3O
SMILES:   ClC(F)C(F)(F)OCCl
InChI:   InChI=1/C3H3Cl2F3O/c4-1-9-3(7,8)2(5)6/h2H,1H2/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=19.2171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.956 g/mol  logS: -1.93296  SlogP: 3.1663  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.191022  Sterimol/B1: 2.55447  Sterimol/B2: 3.02426  Sterimol/B3: 3.16895
  Sterimol/B4: 3.72528  Sterimol/L: 9.5466 
 
 Surface and Volume Properties
  Accessible surface: 295.07  Positive charged surface: 77.7786  Negative charged surface: 217.291  Volume: 115
  Hydrophobic surface: 56.4422  Hydrophilic surface: 238.6278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.