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PUBCHEM-ZINC00741407

 MMsINC code: MMs02735417
Type: Neutral
Formula: C18H19F3N2O3
SMILES:   FC(F)(F)c1ccc(NC(=O)N(CC2OCCC2)Cc2occc2)cc1
InChI:   InChI=1/C18H19F3N2O3/c19-18(20,21)13-5-7-14(8-6-13)22-17(24)23(11-15-3-1-9-25-15)12-16-4-2-10-26-16/h1,3,5-9,16H,2,4,10-12H2,(H,22,24)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3854 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: 0.108212  Sterimol/B1: 2.47995  Sterimol/B2: 3.45176  Sterimol/B3: 3.98148
  Sterimol/B4: 10.3727  Sterimol/L: 15.0994 
 
 Surface and Volume Properties
  Accessible surface: 605.344  Positive charged surface: 329.559  Negative charged surface: 275.785  Volume: 322.125
  Hydrophobic surface: 465.086  Hydrophilic surface: 140.258
 
 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.