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PUBCHEM-ZINC05997026

 MMsINC code: MMs03481042
Type: Neutral
Formula: C7H9F3N2O4
SMILES:   FC(F)(F)C(=O)NCC(=O)NCC(OC)=O
InChI:   InChI=1/C7H9F3N2O4/c1-16-5(14)3-11-4(13)2-12-6(15)7(8,9)10/h2-3H2,1H3,(H,11,13)(H,12,15)

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Potential Energy
Epot(MMFF94)=69.2178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.153 g/mol  logS: -1.42684  SlogP: -0.626  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0196247  Sterimol/B1: 2.63795  Sterimol/B2: 2.63817  Sterimol/B3: 3.35209
  Sterimol/B4: 3.41108  Sterimol/L: 15.8849 
 
 Surface and Volume Properties
  Accessible surface: 428.597  Positive charged surface: 236.754  Negative charged surface: 191.843  Volume: 182.5
  Hydrophobic surface: 161.974  Hydrophilic surface: 266.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.