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PUBCHEM-ZINC05850549

 MMsINC code: MMs03416492
Type: Neutral
Formula: C5H5F3N2O3
SMILES:   FC(F)(F)C(=O)NC1CONC1=O
InChI:   InChI=1/C5H5F3N2O3/c6-5(7,8)4(12)9-2-1-13-10-3(2)11/h2H,1H2,(H,9,12)(H,10,11)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=69.9245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.1 g/mol  logS: -1.42207  SlogP: -0.4852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120157  Sterimol/B1: 2.26738  Sterimol/B2: 3.06038  Sterimol/B3: 3.15404
  Sterimol/B4: 5.21308  Sterimol/L: 10.2563 
 
 Surface and Volume Properties
  Accessible surface: 330.671  Positive charged surface: 140.345  Negative charged surface: 190.325  Volume: 132.375
  Hydrophobic surface: 69.6677  Hydrophilic surface: 261.0033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.