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ENAMINE-ZINC05791951

 MMsINC code: MMs01639101
Type: Neutral
Formula: C20H18F3N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O)C
InChI:   InChI=1/C20H18F3N3O3/c1-20(15-10-14(22)6-7-16(15)23)18(28)26(19(29)25-20)11-17(27)24-9-8-12-2-4-13(21)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,24,27)(H,25,29)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.376 g/mol  logS: -5.01648  SlogP: 2.54127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.080035  Sterimol/B1: 3.22383  Sterimol/B2: 3.32233  Sterimol/B3: 4.57112
  Sterimol/B4: 7.46112  Sterimol/L: 17.2027 
 
 Surface and Volume Properties
  Accessible surface: 645.801  Positive charged surface: 348.769  Negative charged surface: 297.032  Volume: 345.875
  Hydrophobic surface: 499.592  Hydrophilic surface: 146.209
 
 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.