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ENAMINE-ZINC04596827

 MMsINC code: MMs01550125
Type: Neutral
Formula: C20H18FNO4
SMILES:   Fc1ccc(cc1)COC(=O)c1ccc(OCc2c(noc2C)C)cc1
InChI:   InChI=1/C20H18FNO4/c1-13-19(14(2)26-22-13)12-24-18-9-5-16(6-10-18)20(23)25-11-15-3-7-17(21)8-4-15/h3-10H,11-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.2333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.365 g/mol  logS: -4.9209  SlogP: 4.89934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902794  Sterimol/B1: 2.0729  Sterimol/B2: 3.99109  Sterimol/B3: 5.99193
  Sterimol/B4: 7.16826  Sterimol/L: 18.3625 
 
 Surface and Volume Properties
  Accessible surface: 639.454  Positive charged surface: 342.13  Negative charged surface: 297.325  Volume: 331
  Hydrophobic surface: 561.409  Hydrophilic surface: 78.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.