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ENAMINE-ZINC02628890

 MMsINC code: MMs01260851
Type: Neutral
Formula: C20H18FNO4
SMILES:   Fc1ccccc1COC(=O)c1ccc(OCc2c(noc2C)C)cc1
InChI:   InChI=1/C20H18FNO4/c1-13-18(14(2)26-22-13)12-24-17-9-7-15(8-10-17)20(23)25-11-16-5-3-4-6-19(16)21/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=84.6622 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: 0.0662043  Sterimol/B1: 2.06824  Sterimol/B2: 4.15581  Sterimol/B3: 5.87016
  Sterimol/B4: 7.16226  Sterimol/L: 19.2535 
 
 Surface and Volume Properties
  Accessible surface: 628.639  Positive charged surface: 328.501  Negative charged surface: 300.138  Volume: 332.125
  Hydrophobic surface: 551.598  Hydrophilic surface: 77.041
 
 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.