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PUBCHEM-ZINC05481898

 MMsINC code: MMs03282058
Type: Neutral
Formula: C23H28N2O3
SMILES:   O1CCN(CC1)C(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)C(C)C
InChI:   InChI=1/C23H28N2O3/c1-17(2)21(23(27)25-13-15-28-16-14-25)24-22(26)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,26)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.32375  SlogP: 2.8181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189314  Sterimol/B1: 2.6196  Sterimol/B2: 5.38026  Sterimol/B3: 6.14822
  Sterimol/B4: 6.52926  Sterimol/L: 15.3783 
 
 Surface and Volume Properties
  Accessible surface: 642.991  Positive charged surface: 429.077  Negative charged surface: 213.913  Volume: 381.375
  Hydrophobic surface: 553.718  Hydrophilic surface: 89.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.