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ENAMINE-ZINC06602655

 MMsINC code: MMs01683860
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(c1ccc(cc1)C(=O)NCC(=O)NC(C)c1ccccc1OC)c1ccccc1
InChI:   InChI=1/C24H24N2O4/c1-17(21-10-6-7-11-22(21)29-2)26-23(27)16-25-24(28)18-12-14-20(15-13-18)30-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.63178  SlogP: 4.1902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358285  Sterimol/B1: 2.07836  Sterimol/B2: 4.72276  Sterimol/B3: 5.33495
  Sterimol/B4: 5.55955  Sterimol/L: 22.4737 
 
 Surface and Volume Properties
  Accessible surface: 723.71  Positive charged surface: 446.953  Negative charged surface: 276.756  Volume: 395.5
  Hydrophobic surface: 618.806  Hydrophilic surface: 104.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.