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PUBCHEM-ZINC06580667

 MMsINC code: MMs03807198
Type: Neutral
Formula: C26H28N2O3
SMILES:   OC1C(N(Cc2ccccc2)C(=O)NC1C(O)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C26H28N2O3/c29-23(17-20-12-6-2-7-13-20)24-25(30)22(16-19-10-4-1-5-11-19)28(26(31)27-24)18-21-14-8-3-9-15-21/h1-15,22-25,29-30H,16-18H2,(H,27,31)/t22-,23-,24-,25+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -4.66874  SlogP: 3.42254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149255  Sterimol/B1: 2.51222  Sterimol/B2: 4.06297  Sterimol/B3: 4.49821
  Sterimol/B4: 10.5063  Sterimol/L: 17.3113 
 
 Surface and Volume Properties
  Accessible surface: 682.414  Positive charged surface: 410.329  Negative charged surface: 272.085  Volume: 414.625
  Hydrophobic surface: 572.814  Hydrophilic surface: 109.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.