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ENAMINE-ZINC05636625

 MMsINC code: MMs01629882
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C(C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OC)cc1)C)c1cc(ccc1)C
InChI:   InChI=1/C24H24N2O4/c1-16-5-4-6-22(15-16)30-17(2)23(27)25-19-9-7-18(8-10-19)24(28)26-20-11-13-21(29-3)14-12-20/h4-15,17H,1-3H3,(H,25,27)(H,26,28)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -6.25319  SlogP: 4.66192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229885  Sterimol/B1: 2.31288  Sterimol/B2: 3.65511  Sterimol/B3: 5.7468
  Sterimol/B4: 5.99495  Sterimol/L: 23.9106 
 
 Surface and Volume Properties
  Accessible surface: 725.394  Positive charged surface: 448.371  Negative charged surface: 277.022  Volume: 393.5
  Hydrophobic surface: 616.023  Hydrophilic surface: 109.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.