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PUBCHEM-ZINC02584295

 MMsINC code: MMs02904564
Type: Neutral
Formula: C5H5F3N2O2
SMILES:   FC(F)(F)C1CNC(=O)NC1=O
InChI:   InChI=1/C5H5F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-36.1487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.101 g/mol  logS: -0.97995  SlogP: 0.4242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130066  Sterimol/B1: 2.40949  Sterimol/B2: 2.74503  Sterimol/B3: 3.2137
  Sterimol/B4: 5.23524  Sterimol/L: 9.3288 
 
 Surface and Volume Properties
  Accessible surface: 300.037  Positive charged surface: 141.505  Negative charged surface: 158.532  Volume: 121.875
  Hydrophobic surface: 56.5772  Hydrophilic surface: 243.4598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.