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MAYBRIDGE-ZINC04365221

 MMsINC code: MMs02171455
Type: Neutral
Formula: C14H10F2N2O2
SMILES:   Fc1cc(F)ccc1/C(=N/OC(=O)c1ccccc1)/N
InChI:   InChI=1/C14H10F2N2O2/c15-10-6-7-11(12(16)8-10)13(17)18-20-14(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18)

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Potential Energy
Epot(MMFF94)=90.4322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.242 g/mol  logS: -4.51819  SlogP: 2.4421  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.24273e-07  Sterimol/B1: 2.09963  Sterimol/B2: 2.10085  Sterimol/B3: 3.64854
  Sterimol/B4: 4.44775  Sterimol/L: 16.531 
 
 Surface and Volume Properties
  Accessible surface: 480.806  Positive charged surface: 236.686  Negative charged surface: 244.12  Volume: 237.5
  Hydrophobic surface: 384.107  Hydrophilic surface: 96.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.