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NCID-ZINC01856218

 MMsINC code: MMs02372031
Type: Neutral
Formula: C9H15F6O4P
SMILES:   P(OC(C(F)(F)F)C(F)(F)F)(OCCC)(OCCC)=O
InChI:   InChI=1/C9H15F6O4P/c1-3-5-17-20(16,18-6-4-2)19-7(8(10,11)12)9(13,14)15/h7H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=1.36203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.177 g/mol  logS: -3.08988  SlogP: 4.2271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707676  Sterimol/B1: 2.68775  Sterimol/B2: 2.94796  Sterimol/B3: 3.9196
  Sterimol/B4: 6.45249  Sterimol/L: 14.54 
 
 Surface and Volume Properties
  Accessible surface: 493.662  Positive charged surface: 248.723  Negative charged surface: 244.94  Volume: 241.25
  Hydrophobic surface: 249.48  Hydrophilic surface: 244.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.