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PUBCHEM-ZINC02775478

 MMsINC code: MMs02922376
Type: Neutral
Formula: C8H2Cl3F5O
SMILES:   ClC(Cl)(Cl)C(O)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C8H2Cl3F5O/c9-8(10,11)7(17)1-2(12)4(14)6(16)5(15)3(1)13/h7,17H/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=58.0075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.452 g/mol  logS: -5.03856  SlogP: 4.3011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140697  Sterimol/B1: 2.96983  Sterimol/B2: 3.83104  Sterimol/B3: 4.20617
  Sterimol/B4: 4.32314  Sterimol/L: 11.5659 
 
 Surface and Volume Properties
  Accessible surface: 382.27  Positive charged surface: 73.7981  Negative charged surface: 308.472  Volume: 191.375
  Hydrophobic surface: 198.811  Hydrophilic surface: 183.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.