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PUBCHEM-ZINC00573907

 MMsINC code: MMs02707575
Type: Neutral
Formula: C16H10ClFN2O2
SMILES:   Clc1cccc(F)c1\C=N\NC(=O)c1oc2c(c1)cccc2
InChI:   InChI=1/C16H10ClFN2O2/c17-12-5-3-6-13(18)11(12)9-19-20-16(21)15-8-10-4-1-2-7-14(10)22-15/h1-9H,(H,20,21)/b19-9+

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Potential Energy
Epot(MMFF94)=82.5168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.719 g/mol  logS: -6.16567  SlogP: 3.9892  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.50983e-07  Sterimol/B1: 2.09826  Sterimol/B2: 2.10199  Sterimol/B3: 4.22131
  Sterimol/B4: 4.24383  Sterimol/L: 18.3581 
 
 Surface and Volume Properties
  Accessible surface: 535.46  Positive charged surface: 269.549  Negative charged surface: 260.068  Volume: 275
  Hydrophobic surface: 454.393  Hydrophilic surface: 81.067
 
 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.