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ENAMINE-ZINC05429184

 MMsINC code: MMs01612054
Type: Neutral
Formula: C20H16FNO5
SMILES:   Fc1cc(ccc1OC)C(=O)COC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C20H16FNO5/c1-12-18(19(22-27-12)13-6-4-3-5-7-13)20(24)26-11-16(23)14-8-9-17(25-2)15(21)10-14/h3-10H,11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.348 g/mol  logS: -5.56614  SlogP: 3.83742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484828  Sterimol/B1: 2.22347  Sterimol/B2: 3.66169  Sterimol/B3: 4.36229
  Sterimol/B4: 10.3331  Sterimol/L: 18.0111 
 
 Surface and Volume Properties
  Accessible surface: 626.346  Positive charged surface: 330.768  Negative charged surface: 295.578  Volume: 331
  Hydrophobic surface: 524.093  Hydrophilic surface: 102.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.