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CHEMBRIDGE-ZINC00935791

 MMsINC code: MMs00645711
Type: Neutral
Formula: C23H28N2O5
SMILES:   O(C)c1ccc(OC)cc1NC(=O)COc1ccc(cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H28N2O5/c1-28-19-12-13-21(29-2)20(14-19)25-22(26)15-30-18-10-8-16(9-11-18)23(27)24-17-6-4-3-5-7-17/h8-14,17H,3-7,15H2,1-2H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.486 g/mol  logS: -5.14972  SlogP: 3.7838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168655  Sterimol/B1: 2.52599  Sterimol/B2: 3.20618  Sterimol/B3: 4.04715
  Sterimol/B4: 8.64616  Sterimol/L: 22.9983 
 
 Surface and Volume Properties
  Accessible surface: 745.844  Positive charged surface: 547.384  Negative charged surface: 198.46  Volume: 400.25
  Hydrophobic surface: 642.403  Hydrophilic surface: 103.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.