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PUBCHEM-ZINC00610811

 MMsINC code: MMs02712501
Type: Neutral
Formula: C15H14F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1cc(OC)cc(OC)c1
InChI:   InChI=1/C15H14F2N2O3/c1-21-11-6-10(7-12(8-11)22-2)18-15(20)19-14-4-3-9(16)5-13(14)17/h3-8H,1-2H3,(H2,18,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.1798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.284 g/mol  logS: -3.94277  SlogP: 3.626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409892  Sterimol/B1: 2.43498  Sterimol/B2: 2.53684  Sterimol/B3: 4.10267
  Sterimol/B4: 6.98952  Sterimol/L: 16.4118 
 
 Surface and Volume Properties
  Accessible surface: 531.007  Positive charged surface: 344.527  Negative charged surface: 186.479  Volume: 267.25
  Hydrophobic surface: 452.8  Hydrophilic surface: 78.207
 
 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.