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NCID-ZINC01576160

 MMsINC code: MMs02234769
Type: Neutral
Formula: C10H9F6O3P
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)(=O)c1ccccc1
InChI:   InChI=1/C10H9F6O3P/c11-9(12,13)6-18-20(17,19-7-10(14,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=61.9083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.141 g/mol  logS: -3.60122  SlogP: 3.4324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893199  Sterimol/B1: 3.26266  Sterimol/B2: 4.25068  Sterimol/B3: 5.32099
  Sterimol/B4: 5.60866  Sterimol/L: 12.2918 
 
 Surface and Volume Properties
  Accessible surface: 487.883  Positive charged surface: 149.683  Negative charged surface: 338.2  Volume: 226.375
  Hydrophobic surface: 231.123  Hydrophilic surface: 256.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.