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ENAMINE-ZINC06626924

 MMsINC code: MMs01687662
Type: Neutral
Formula: C17H19F3N2O2
SMILES:   FC(F)(F)c1cc(ccc1)CN1C(=O)C2(NC1=O)CCCCC2C
InChI:   InChI=1/C17H19F3N2O2/c1-11-5-2-3-8-16(11)14(23)22(15(24)21-16)10-12-6-4-7-13(9-12)17(18,19)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,21,24)/t11-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.345 g/mol  logS: -4.53185  SlogP: 4.284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141874  Sterimol/B1: 2.58273  Sterimol/B2: 3.31997  Sterimol/B3: 4.91138
  Sterimol/B4: 6.21184  Sterimol/L: 13.0077 
 
 Surface and Volume Properties
  Accessible surface: 525.856  Positive charged surface: 285.92  Negative charged surface: 239.936  Volume: 296.875
  Hydrophobic surface: 335.544  Hydrophilic surface: 190.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.