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CHEMDIV-ZINC04800019

 MMsINC code: MMs00957803
Type: Neutral
Formula: C26H25FN2O4
SMILES:   Fc1ccc(cc1)CNC(=O)C1CC(=O)N(C1c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C26H25FN2O4/c1-32-21-11-5-18(6-12-21)25-23(26(31)28-16-17-3-7-19(27)8-4-17)15-24(30)29(25)20-9-13-22(33-2)14-10-20/h3-14,23,25H,15-16H2,1-2H3,(H,28,31)/t23-,25+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.08 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.494 g/mol  logS: -5.37233  SlogP: 4.6154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620872  Sterimol/B1: 2.28104  Sterimol/B2: 2.47351  Sterimol/B3: 5.02333
  Sterimol/B4: 9.87142  Sterimol/L: 20.7974 
 
 Surface and Volume Properties
  Accessible surface: 738.089  Positive charged surface: 478.219  Negative charged surface: 259.87  Volume: 423
  Hydrophobic surface: 647.798  Hydrophilic surface: 90.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.