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APOLLO-ZINC02530678

 MMsINC code: MMs00052977
Type: Neutral
Formula: C4H5Cl2F3O
SMILES:   ClC(F)C(F)(F)OCCCl
InChI:   InChI=1/C4H5Cl2F3O/c5-1-2-10-4(8,9)3(6)7/h3H,1-2H2/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=26.4773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.983 g/mol  logS: -2.22746  SlogP: 3.2088  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131261  Sterimol/B1: 2.35812  Sterimol/B2: 2.81632  Sterimol/B3: 3.21365
  Sterimol/B4: 4.07738  Sterimol/L: 10.7795 
 
 Surface and Volume Properties
  Accessible surface: 331.817  Positive charged surface: 109.926  Negative charged surface: 221.892  Volume: 133.875
  Hydrophobic surface: 104.882  Hydrophilic surface: 226.935
 
 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.