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PUBCHEM-ZINC00182238

 MMsINC code: MMs02637131
Type: Neutral
Formula: C13H12FN3O3
SMILES:   Fc1ccc(cc1)C(=O)Nc1nc(OC)nc(OC)c1
InChI:   InChI=1/C13H12FN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)

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Potential Energy
Epot(MMFF94)=29.3984 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: 0.00655177  Sterimol/B1: 2.37391  Sterimol/B2: 2.39267  Sterimol/B3: 2.44301
  Sterimol/B4: 6.92581  Sterimol/L: 15.8441 
 
 Surface and Volume Properties
  Accessible surface: 491.581  Positive charged surface: 323.805  Negative charged surface: 167.776  Volume: 244.875
  Hydrophobic surface: 386.298  Hydrophilic surface: 105.283
 
 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.