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APOLLO-ZINC01856220

 MMsINC code: MMs00050081
Type: Neutral
Formula: C9H16F3O6P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OCC)(OCC)=O
InChI:   InChI=1/C9H16F3O6P/c1-4-15-8(13)7(9(10,11)12)18-19(14,16-5-2)17-6-3/h7H,4-6H2,1-3H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.89299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.189 g/mol  logS: -2.33873  SlogP: 2.0278  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0731  Sterimol/B1: 3.23007  Sterimol/B2: 3.76999  Sterimol/B3: 5.07772
  Sterimol/B4: 5.50425  Sterimol/L: 15.3832 
 
 Surface and Volume Properties
  Accessible surface: 522.498  Positive charged surface: 297.886  Negative charged surface: 224.611  Volume: 242.875
  Hydrophobic surface: 290.814  Hydrophilic surface: 231.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.