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ENAMINE-ZINC03310791

 MMsINC code: MMs01363794
Type: Neutral
Formula: C17H23F6N3O
SMILES:   FC(F)(F)c1cc(cc(NC(=O)CNCC(CN(C)C)(C)C)c1)C(F)(F)F
InChI:   InChI=1/C17H23F6N3O/c1-15(2,10-26(3)4)9-24-8-14(27)25-13-6-11(16(18,19)20)5-12(7-13)17(21,22)23/h5-7,24H,8-10H2,1-4H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.379 g/mol  logS: -3.97021  SlogP: 4.4631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555146  Sterimol/B1: 3.28075  Sterimol/B2: 3.9557  Sterimol/B3: 4.18889
  Sterimol/B4: 5.98141  Sterimol/L: 18.2178 
 
 Surface and Volume Properties
  Accessible surface: 634.608  Positive charged surface: 347.34  Negative charged surface: 287.268  Volume: 337.375
  Hydrophobic surface: 350.44  Hydrophilic surface: 284.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01363795
ENAMINE-ZINC03310791