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ENAMINE-ZINC03470153

 MMsINC code: MMs01461022
Type: Neutral
Formula: C20H18FNO4
SMILES:   Fc1ccccc1COC(=O)c1cc(OCc2c(noc2C)C)ccc1
InChI:   InChI=1/C20H18FNO4/c1-13-18(14(2)26-22-13)12-24-17-8-5-7-15(10-17)20(23)25-11-16-6-3-4-9-19(16)21/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=82.2753 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: 0.0606045  Sterimol/B1: 2.03457  Sterimol/B2: 3.7314  Sterimol/B3: 5.13428
  Sterimol/B4: 7.15309  Sterimol/L: 19.4276 
 
 Surface and Volume Properties
  Accessible surface: 628.626  Positive charged surface: 329.126  Negative charged surface: 299.5  Volume: 333.875
  Hydrophobic surface: 552.288  Hydrophilic surface: 76.338
 
 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.