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PUBCHEM-ZINC06863920

 MMsINC code: MMs03882132
Type: Neutral
Formula: C20H19F3N2O3
SMILES:   FC(F)(F)c1ccc(cc1)CNC(=O)C(NC(=O)\C=C\c1ccccc1)CO
InChI:   InChI=1/C20H19F3N2O3/c21-20(22,23)16-9-6-15(7-10-16)12-24-19(28)17(13-26)25-18(27)11-8-14-4-2-1-3-5-14/h1-11,17,26H,12-13H2,(H,24,28)(H,25,27)/b11-8+/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.377 g/mol  logS: -4.83131  SlogP: 3.09  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407166  Sterimol/B1: 3.36733  Sterimol/B2: 3.60359  Sterimol/B3: 4.4182
  Sterimol/B4: 5.15701  Sterimol/L: 22.2696 
 
 Surface and Volume Properties
  Accessible surface: 678.178  Positive charged surface: 335.505  Negative charged surface: 342.673  Volume: 349.125
  Hydrophobic surface: 446.118  Hydrophilic surface: 232.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.