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PUBCHEM-ZINC06344585

 MMsINC code: MMs03678147
Type: Neutral
Formula: C25H25NO2
SMILES:   OCC(NC(=O)c1c2CCc3ccc(CCc(c1)cc2)cc3)c1ccccc1
InChI:   InChI=1/C25H25NO2/c27-17-24(22-4-2-1-3-5-22)26-25(28)23-16-20-11-10-18-6-8-19(9-7-18)12-14-21(23)15-13-20/h1-9,13,15-16,24,27H,10-12,14,17H2,(H,26,28)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=296.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.48 g/mol  logS: -6.43347  SlogP: 4.12918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166374  Sterimol/B1: 2.6684  Sterimol/B2: 3.45675  Sterimol/B3: 6.07394
  Sterimol/B4: 6.75057  Sterimol/L: 14.0264 
 
 Surface and Volume Properties
  Accessible surface: 587.804  Positive charged surface: 374.628  Negative charged surface: 213.176  Volume: 364.875
  Hydrophobic surface: 533.039  Hydrophilic surface: 54.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.