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PUBCHEM-ZINC05678951

 MMsINC code: MMs03345154
Type: Neutral
Formula: C14H11FN2O2
SMILES:   Fc1ccccc1C(=O)N\N=C\c1cc(O)ccc1
InChI:   InChI=1/C14H11FN2O2/c15-13-7-2-1-6-12(13)14(19)17-16-9-10-4-3-5-11(18)8-10/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=74.6793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.252 g/mol  logS: -3.47118  SlogP: 2.2952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00116387  Sterimol/B1: 2.16739  Sterimol/B2: 2.18057  Sterimol/B3: 2.53821
  Sterimol/B4: 5.59836  Sterimol/L: 16.4155 
 
 Surface and Volume Properties
  Accessible surface: 487.544  Positive charged surface: 261.734  Negative charged surface: 225.81  Volume: 235.75
  Hydrophobic surface: 365.137  Hydrophilic surface: 122.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.