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PUBCHEM-ZINC06364572

 MMsINC code: MMs03688663
Type: Neutral
Formula: C18H23F3N2O3
SMILES:   FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
InChI:   InChI=1/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.387 g/mol  logS: -4.74617  SlogP: 2.81597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204339  Sterimol/B1: 1.969  Sterimol/B2: 4.68324  Sterimol/B3: 6.29514
  Sterimol/B4: 7.20983  Sterimol/L: 12.4511 
 
 Surface and Volume Properties
  Accessible surface: 598.201  Positive charged surface: 310.97  Negative charged surface: 287.231  Volume: 335.5
  Hydrophobic surface: 376.041  Hydrophilic surface: 222.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.