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PHARMEK-ZINC01871740

 MMsINC code: MMs02623556
Type: Neutral
Formula: C15H11F6O3P
SMILES:   P(OC(C(F)(F)F)c1cc(ccc1)C(F)(F)F)(O)(=O)c1ccccc1
InChI:   InChI=1/C15H11F6O3P/c16-14(17,18)11-6-4-5-10(9-11)13(15(19,20)21)24-25(22,23)12-7-2-1-3-8-12/h1-9,13H,(H,22,23)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=57.6142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.212 g/mol  logS: -4.9975  SlogP: 4.593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133024  Sterimol/B1: 3.59365  Sterimol/B2: 3.87349  Sterimol/B3: 4.52169
  Sterimol/B4: 5.49204  Sterimol/L: 15.5385 
 
 Surface and Volume Properties
  Accessible surface: 545.248  Positive charged surface: 183.14  Negative charged surface: 362.108  Volume: 284.375
  Hydrophobic surface: 288.653  Hydrophilic surface: 256.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.