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ENAMINE-ZINC03189265

 MMsINC code: MMs01300549
Type: Neutral
Formula: C8H15F3NO5P
SMILES:   P(OCC)(OCC)(=O)C(NC(OC)=O)C(F)(F)F
InChI:   InChI=1/C8H15F3NO5P/c1-4-16-18(14,17-5-2)6(8(9,10)11)12-7(13)15-3/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=10.1939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.178 g/mol  logS: -1.47891  SlogP: 1.8466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161252  Sterimol/B1: 2.14657  Sterimol/B2: 3.9219  Sterimol/B3: 3.96463
  Sterimol/B4: 7.88794  Sterimol/L: 13.964 
 
 Surface and Volume Properties
  Accessible surface: 494.029  Positive charged surface: 310.4  Negative charged surface: 183.628  Volume: 228.875
  Hydrophobic surface: 280.833  Hydrophilic surface: 213.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.