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CHEMBRIDGE-ZINC04818422

 MMsINC code: MMs00790770
Type: Neutral
Formula: C20H19F3N2O3
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C20H19F3N2O3/c1-11-3-7-13(8-4-11)16-15(17(26)14-9-5-12(2)6-10-14)19(28,20(21,22)23)25-18(27)24-16/h3-10,15-16,28H,1-2H3,(H2,24,25,27)/t15-,16-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.8596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.377 g/mol  logS: -5.26105  SlogP: 3.92274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219355  Sterimol/B1: 2.22334  Sterimol/B2: 3.88471  Sterimol/B3: 3.94665
  Sterimol/B4: 9.39365  Sterimol/L: 12.3037 
 
 Surface and Volume Properties
  Accessible surface: 576.362  Positive charged surface: 312.517  Negative charged surface: 263.845  Volume: 336.125
  Hydrophobic surface: 375.859  Hydrophilic surface: 200.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.