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CHEMSTAR-ZINC04119563

 MMsINC code: MMs01106532
Type: Neutral
Formula: C11H10F7O2P
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)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=60.2788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.159 g/mol  logS: -3.26921  SlogP: 4.7458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350943  Sterimol/B1: 2.5386  Sterimol/B2: 2.9677  Sterimol/B3: 4.8585
  Sterimol/B4: 7.04338  Sterimol/L: 10.9639 
 
 Surface and Volume Properties
  Accessible surface: 434.936  Positive charged surface: 155.958  Negative charged surface: 278.978  Volume: 234.625
  Hydrophobic surface: 189.35  Hydrophilic surface: 245.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01106533
CHEMSTAR-ZINC04119563