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CHEMBRIDGE-ZINC01128826

 MMsINC code: MMs00666537
Type: Neutral
Formula: C20H18ClF3N2O2
SMILES:   Clc1ccc(cc1NC(=O)C1CC(=O)N(C1)c1ccc(cc1)CC)C(F)(F)F
InChI:   InChI=1/C20H18ClF3N2O2/c1-2-12-3-6-15(7-4-12)26-11-13(9-18(26)27)19(28)25-17-10-14(20(22,23)24)5-8-16(17)21/h3-8,10,13H,2,9,11H2,1H3,(H,25,28)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.823 g/mol  logS: -6.04463  SlogP: 5.22427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220053  Sterimol/B1: 2.58892  Sterimol/B2: 3.84948  Sterimol/B3: 4.10823
  Sterimol/B4: 6.0393  Sterimol/L: 19.4761 
 
 Surface and Volume Properties
  Accessible surface: 641.31  Positive charged surface: 303.456  Negative charged surface: 337.854  Volume: 348.875
  Hydrophobic surface: 452.219  Hydrophilic surface: 189.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.