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PUBCHEM-ZINC00580559

 MMsINC code: MMs02709500
Type: Neutral
Formula: C15H13FN2O2
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)COc1ccccc1
InChI:   InChI=1/C15H13FN2O2/c16-13-8-6-12(7-9-13)10-17-18-15(19)11-20-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)/b17-10+

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Potential Energy
Epot(MMFF94)=85.9413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.279 g/mol  logS: -3.90995  SlogP: 2.3548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00197276  Sterimol/B1: 2.37396  Sterimol/B2: 2.37614  Sterimol/B3: 3.57225
  Sterimol/B4: 4.28063  Sterimol/L: 18.9557 
 
 Surface and Volume Properties
  Accessible surface: 533.524  Positive charged surface: 291.909  Negative charged surface: 241.616  Volume: 257.75
  Hydrophobic surface: 438.049  Hydrophilic surface: 95.475
 
 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


MMs02709501
PUBCHEM-ZINC00580559