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ENAMINE-ZINC05163922

 MMsINC code: MMs01594120
Type: Neutral
Formula: C11H11F2N3O3
SMILES:   FC(F)Oc1ccc(cc1)/C(=N\NC(=O)C(=O)N)/C
InChI:   InChI=1/C11H11F2N3O3/c1-6(15-16-10(18)9(14)17)7-2-4-8(5-3-7)19-11(12)13/h2-5,11H,1H3,(H2,14,17)(H,16,18)/b15-6+

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Potential Energy
Epot(MMFF94)=92.6107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.223 g/mol  logS: -2.48922  SlogP: 1.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0090058  Sterimol/B1: 1.99432  Sterimol/B2: 2.63669  Sterimol/B3: 2.63963
  Sterimol/B4: 6.39293  Sterimol/L: 16.7582 
 
 Surface and Volume Properties
  Accessible surface: 469.186  Positive charged surface: 247.058  Negative charged surface: 222.128  Volume: 224.5
  Hydrophobic surface: 206.905  Hydrophilic surface: 262.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.