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ENAMINE-ZINC03189263

 MMsINC code: MMs01300548
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-/m0/s1

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Potential Energy
Epot(MMFF94)=10.1045 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: 0.096645  Sterimol/B1: 2.35257  Sterimol/B2: 3.50719  Sterimol/B3: 3.67984
  Sterimol/B4: 8.87153  Sterimol/L: 14.178 
 
 Surface and Volume Properties
  Accessible surface: 488.111  Positive charged surface: 304.589  Negative charged surface: 183.522  Volume: 228.75
  Hydrophobic surface: 275.777  Hydrophilic surface: 212.334
 
 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.