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NCID-ZINC01707845

 MMsINC code: MMs02335935
Type: Neutral
Formula: C11H9FN2O3
SMILES:   Fc1ccc(cc1)C(O)C1=CNC(=O)NC1=O
InChI:   InChI=1/C11H9FN2O3/c12-7-3-1-6(2-4-7)9(15)8-5-13-11(17)14-10(8)16/h1-5,9,15H,(H2,13,14,16,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=7.56964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.202 g/mol  logS: -2.28298  SlogP: 0.6779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185466  Sterimol/B1: 2.46703  Sterimol/B2: 3.43726  Sterimol/B3: 4.28568
  Sterimol/B4: 5.12634  Sterimol/L: 12.2727 
 
 Surface and Volume Properties
  Accessible surface: 398.543  Positive charged surface: 204.12  Negative charged surface: 194.423  Volume: 194.75
  Hydrophobic surface: 219.751  Hydrophilic surface: 178.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.