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CHEMBRIDGE-ZINC00084183

 MMsINC code: MMs00586861
Type: Neutral
Formula: C13H12FN3O3
SMILES:   Fc1ccccc1C(=O)Nc1nc(OC)nc(OC)c1
InChI:   InChI=1/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,16,17,18)

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Potential Energy
Epot(MMFF94)=29.7014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.255 g/mol  logS: -3.87773  SlogP: 1.8852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00660165  Sterimol/B1: 2.37426  Sterimol/B2: 2.3917  Sterimol/B3: 2.44435
  Sterimol/B4: 6.92456  Sterimol/L: 15.5716 
 
 Surface and Volume Properties
  Accessible surface: 493.409  Positive charged surface: 331.861  Negative charged surface: 161.548  Volume: 242.875
  Hydrophobic surface: 390.322  Hydrophilic surface: 103.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.