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PUBCHEM-ZINC00672959

 MMsINC code: MMs02724863
Type: Neutral
Formula: C26H22N2O3
SMILES:   O1CCOc2c1cc(NC(=O)c1cc(nc3c1cccc3)-c1cc(C)c(cc1)C)cc2
InChI:   InChI=1/C26H22N2O3/c1-16-7-8-18(13-17(16)2)23-15-21(20-5-3-4-6-22(20)28-23)26(29)27-19-9-10-24-25(14-19)31-12-11-30-24/h3-10,13-15H,11-12H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.17 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.473 g/mol  logS: -7.53603  SlogP: 5.54214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014785  Sterimol/B1: 2.39697  Sterimol/B2: 2.72741  Sterimol/B3: 3.34738
  Sterimol/B4: 10.9685  Sterimol/L: 19.728 
 
 Surface and Volume Properties
  Accessible surface: 692.318  Positive charged surface: 425.225  Negative charged surface: 257.303  Volume: 394.625
  Hydrophobic surface: 625.822  Hydrophilic surface: 66.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.