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CHEMSTAR-ZINC04119565

 MMsINC code: MMs01106534
Type: Neutral
Formula: C10H9F6O2P
SMILES:   P(O)(=O)(C(C(F)(F)F)c1cc(ccc1)C(F)(F)F)C
InChI:   InChI=1/C10H9F6O2P/c1-19(17,18)8(10(14,15)16)6-3-2-4-7(5-6)9(11,12)13/h2-5,8H,1H3,(H,17,18)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=45.2024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.142 g/mol  logS: -2.91908  SlogP: 3.9657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179886  Sterimol/B1: 3.20538  Sterimol/B2: 3.46608  Sterimol/B3: 4.82736
  Sterimol/B4: 5.02262  Sterimol/L: 12.4803 
 
 Surface and Volume Properties
  Accessible surface: 430.159  Positive charged surface: 147.545  Negative charged surface: 282.614  Volume: 216
  Hydrophobic surface: 160.605  Hydrophilic surface: 269.554
 
 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


MMs01106535
CHEMSTAR-ZINC04119565