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PUBCHEM-ZINC00741390

 MMsINC code: MMs02735404
Type: Neutral
Formula: C18H19F3N2O3
SMILES:   FC(F)(F)c1cc(NC(=O)N(CC2OCCC2)Cc2occc2)ccc1
InChI:   InChI=1/C18H19F3N2O3/c19-18(20,21)13-4-1-5-14(10-13)22-17(24)23(11-15-6-2-8-25-15)12-16-7-3-9-26-16/h1-2,4-6,8,10,16H,3,7,9,11-12H2,(H,22,24)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.9979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.355 g/mol  logS: -4.59324  SlogP: 5.0894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150262  Sterimol/B1: 2.548  Sterimol/B2: 3.98168  Sterimol/B3: 6.06523
  Sterimol/B4: 7.71644  Sterimol/L: 15.0924 
 
 Surface and Volume Properties
  Accessible surface: 602.07  Positive charged surface: 327.999  Negative charged surface: 274.07  Volume: 323.375
  Hydrophobic surface: 462.904  Hydrophilic surface: 139.166
 
 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.