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ENAMINE-ZINC04524434

 MMsINC code: MMs01545810
Type: Neutral
Formula: C20H18FNO4
SMILES:   Fc1ccc(cc1)COC(=O)c1cc(OCc2c(noc2C)C)ccc1
InChI:   InChI=1/C20H18FNO4/c1-13-19(14(2)26-22-13)12-24-18-5-3-4-16(10-18)20(23)25-11-15-6-8-17(21)9-7-15/h3-10H,11-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.6912 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: 0.0541676  Sterimol/B1: 2.07729  Sterimol/B2: 3.70914  Sterimol/B3: 4.9344
  Sterimol/B4: 7.16187  Sterimol/L: 19.6941 
 
 Surface and Volume Properties
  Accessible surface: 641.337  Positive charged surface: 342.645  Negative charged surface: 298.693  Volume: 330.5
  Hydrophobic surface: 564.736  Hydrophilic surface: 76.601
 
 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.