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ENAMINE-ZINC03511050

 MMsINC code: MMs01482895
Type: Neutral
Formula: C14H13F3N2O4
SMILES:   FC(F)(F)c1cc(ccc1)C(OCC(=O)NC(=O)NCC=C)=O
InChI:   InChI=1/C14H13F3N2O4/c1-2-6-18-13(22)19-11(20)8-23-12(21)9-4-3-5-10(7-9)14(15,16)17/h2-5,7H,1,6,8H2,(H2,18,19,20,22)

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Potential Energy
Epot(MMFF94)=43.922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.262 g/mol  logS: -3.72049  SlogP: 2.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100818  Sterimol/B1: 2.23328  Sterimol/B2: 3.28926  Sterimol/B3: 3.80241
  Sterimol/B4: 4.54839  Sterimol/L: 20.419 
 
 Surface and Volume Properties
  Accessible surface: 570.805  Positive charged surface: 282.623  Negative charged surface: 288.182  Volume: 270.625
  Hydrophobic surface: 260.331  Hydrophilic surface: 310.474
 
 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: no related molecules available.