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CHEMSTAR-ZINC04119561

 MMsINC code: MMs01106531
Type: Ionized
Formula: C11H9F7O2P-
SMILES:   P(=O)([O-])(C(C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)C
InChI:   InChI=1/C11H10F7O2P/c1-21(19,20)8(7-5-3-2-4-6-7)9(12,13)10(14,15)11(16,17)18/h2-6,8H,1H3,(H,19,20)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=43.4352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.151 g/mol  logS: -3.34073  SlogP: 4.1138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301262  Sterimol/B1: 2.57914  Sterimol/B2: 3.1869  Sterimol/B3: 4.60387
  Sterimol/B4: 7.80644  Sterimol/L: 11.5615 
 
 Surface and Volume Properties
  Accessible surface: 443.472  Positive charged surface: 148.887  Negative charged surface: 294.584  Volume: 231.375
  Hydrophobic surface: 205.546  Hydrophilic surface: 237.926
 
 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:


MMs01106530
CHEMSTAR-ZINC04119561