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PUBCHEM-ZINC06825851

 MMsINC code: MMs03870035
Type: Neutral
Formula: C19H17FN2O3
SMILES:   Fc1ccccc1CN1C(=O)/C(/NC1=O)=C\c1cc(C)c(O)c(c1)C
InChI:   InChI=1/C19H17FN2O3/c1-11-7-13(8-12(2)17(11)23)9-16-18(24)22(19(25)21-16)10-14-5-3-4-6-15(14)20/h3-9,23H,10H2,1-2H3,(H,21,25)/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.354 g/mol  logS: -4.39563  SlogP: 3.50744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165276  Sterimol/B1: 2.05826  Sterimol/B2: 4.12989  Sterimol/B3: 5.7562
  Sterimol/B4: 6.91699  Sterimol/L: 15.6193 
 
 Surface and Volume Properties
  Accessible surface: 570.659  Positive charged surface: 352.029  Negative charged surface: 218.63  Volume: 311.75
  Hydrophobic surface: 446.594  Hydrophilic surface: 124.065
 
 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.