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ENAMINE-ZINC03578405

 MMsINC code: MMs01516478
Type: Neutral
Formula: C15H12F2N2O2
SMILES:   Fc1ccccc1OCC(=O)N\N=C\c1cc(F)ccc1
InChI:   InChI=1/C15H12F2N2O2/c16-12-5-3-4-11(8-12)9-18-19-15(20)10-21-14-7-2-1-6-13(14)17/h1-9H,10H2,(H,19,20)/b18-9+

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Potential Energy
Epot(MMFF94)=87.6598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.269 g/mol  logS: -4.20493  SlogP: 2.4939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00198212  Sterimol/B1: 2.37314  Sterimol/B2: 2.37695  Sterimol/B3: 2.56675
  Sterimol/B4: 5.56338  Sterimol/L: 18.6956 
 
 Surface and Volume Properties
  Accessible surface: 539.281  Positive charged surface: 282.784  Negative charged surface: 256.497  Volume: 259.375
  Hydrophobic surface: 446.117  Hydrophilic surface: 93.164
 
 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: no related molecules available.