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NCID-ZINC01649995

 MMsINC code: MMs02289811
Type: Neutral
Formula: C15H20F3N3O3
SMILES:   FC(F)(F)C(Nc1nccc(c1)C)(NC(=O)CCC)C(OCC)=O
InChI:   InChI=1/C15H20F3N3O3/c1-4-6-12(22)21-14(15(16,17)18,13(23)24-5-2)20-11-9-10(3)7-8-19-11/h7-9H,4-6H2,1-3H3,(H,19,20)(H,21,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=89.5916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.337 g/mol  logS: -3.47963  SlogP: 2.95982  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.270724  Sterimol/B1: 3.54838  Sterimol/B2: 5.07386  Sterimol/B3: 5.56707
  Sterimol/B4: 6.82356  Sterimol/L: 13.7108 
 
 Surface and Volume Properties
  Accessible surface: 578.197  Positive charged surface: 369.307  Negative charged surface: 208.889  Volume: 303.375
  Hydrophobic surface: 385.727  Hydrophilic surface: 192.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.