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ENAMINE-ZINC03300384

 MMsINC code: MMs01358216
Type: Neutral
Formula: C24H24N2O4
SMILES:   O1CCOc2c1cc(NC(C(=O)Nc1ccccc1OCC)c1ccccc1)cc2
InChI:   InChI=1/C24H24N2O4/c1-2-28-20-11-7-6-10-19(20)26-24(27)23(17-8-4-3-5-9-17)25-18-12-13-21-22(16-18)30-15-14-29-21/h3-13,16,23,25H,2,14-15H2,1H3,(H,26,27)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.57286  SlogP: 4.7439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616517  Sterimol/B1: 3.1735  Sterimol/B2: 4.08039  Sterimol/B3: 5.456
  Sterimol/B4: 8.50811  Sterimol/L: 18.6617 
 
 Surface and Volume Properties
  Accessible surface: 691  Positive charged surface: 463.651  Negative charged surface: 227.349  Volume: 390.125
  Hydrophobic surface: 614.475  Hydrophilic surface: 76.525
 
 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.