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NCID-ZINC01726313

 MMsINC code: MMs02350022
Type: Neutral
Formula: C8H10F3NO5
SMILES:   FC(F)(F)C(=O)NC(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C8H10F3NO5/c1-16-5(13)3-4(6(14)17-2)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=65.8053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.164 g/mol  logS: -1.54436  SlogP: 0.1895  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.081443  Sterimol/B1: 2.96719  Sterimol/B2: 2.98208  Sterimol/B3: 3.23005
  Sterimol/B4: 7.52896  Sterimol/L: 12.3159 
 
 Surface and Volume Properties
  Accessible surface: 438.366  Positive charged surface: 258.272  Negative charged surface: 180.094  Volume: 196.875
  Hydrophobic surface: 230.233  Hydrophilic surface: 208.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.