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CHEMDIV-ZINC03039175

 MMsINC code: MMs00906607
Type: Neutral
Formula: C26H32N2O2
SMILES:   O=C1N(CC(=O)N(CCc2ccccc2)C1c1ccc(cc1)C)C1CCCCCC1
InChI:   InChI=1/C26H32N2O2/c1-20-13-15-22(16-14-20)25-26(30)28(23-11-7-2-3-8-12-23)19-24(29)27(25)18-17-21-9-5-4-6-10-21/h4-6,9-10,13-16,23,25H,2-3,7-8,11-12,17-19H2,1H3/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -5.93009  SlogP: 4.76789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0872958  Sterimol/B1: 2.16818  Sterimol/B2: 3.11269  Sterimol/B3: 4.61563
  Sterimol/B4: 9.78371  Sterimol/L: 18.4435 
 
 Surface and Volume Properties
  Accessible surface: 683.267  Positive charged surface: 453.281  Negative charged surface: 229.986  Volume: 414.125
  Hydrophobic surface: 632.901  Hydrophilic surface: 50.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.