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ENAMINE-ZINC06832003

 MMsINC code: MMs01701579
Type: Neutral
Formula: C23H19FN2O3
SMILES:   Fc1cc(c2OC(OCc2c1)c1ccccc1)CN1CC(=O)Nc2c1cccc2
InChI:   InChI=1/C23H19FN2O3/c24-18-10-16(12-26-13-21(27)25-19-8-4-5-9-20(19)26)22-17(11-18)14-28-23(29-22)15-6-2-1-3-7-15/h1-11,23H,12-14H2,(H,25,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.414 g/mol  logS: -5.69015  SlogP: 5.0205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469311  Sterimol/B1: 2.54012  Sterimol/B2: 3.35369  Sterimol/B3: 3.37033
  Sterimol/B4: 10.5952  Sterimol/L: 14.347 
 
 Surface and Volume Properties
  Accessible surface: 595.303  Positive charged surface: 333.462  Negative charged surface: 261.84  Volume: 357.5
  Hydrophobic surface: 492.576  Hydrophilic surface: 102.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.