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ENAMINE-ZINC05428912

 MMsINC code: MMs01611991
Type: Neutral
Formula: C22H20FNO6
SMILES:   Fc1cc(ccc1OC)C(=O)COC(=O)c1cc(OCc2c(noc2C)C)ccc1
InChI:   InChI=1/C22H20FNO6/c1-13-18(14(2)30-24-13)11-28-17-6-4-5-16(9-17)22(26)29-12-20(25)15-7-8-21(27-3)19(23)10-15/h4-10H,11-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.401 g/mol  logS: -5.30263  SlogP: 4.32424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0370392  Sterimol/B1: 2.04514  Sterimol/B2: 3.77372  Sterimol/B3: 5.90997
  Sterimol/B4: 7.15985  Sterimol/L: 23.1153 
 
 Surface and Volume Properties
  Accessible surface: 706.44  Positive charged surface: 404.641  Negative charged surface: 301.8  Volume: 374.25
  Hydrophobic surface: 588.135  Hydrophilic surface: 118.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.