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CHEMBRIDGE-ZINC04946908

 MMsINC code: MMs00812136
Type: Neutral
Formula: C14H11FN2O2
SMILES:   Fc1cc(ccc1)C(O\N=C(\N)/c1ccccc1)=O
InChI:   InChI=1/C14H11FN2O2/c15-12-8-4-7-11(9-12)14(18)19-17-13(16)10-5-2-1-3-6-10/h1-9H,(H2,16,17)

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Potential Energy
Epot(MMFF94)=87.1386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.252 g/mol  logS: -4.22321  SlogP: 2.303  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.712e-07  Sterimol/B1: 2.09987  Sterimol/B2: 2.10006  Sterimol/B3: 3.46968
  Sterimol/B4: 4.74053  Sterimol/L: 16.2641 
 
 Surface and Volume Properties
  Accessible surface: 481.698  Positive charged surface: 237.187  Negative charged surface: 244.511  Volume: 236.125
  Hydrophobic surface: 379.993  Hydrophilic surface: 101.705
 
 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.