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MDPI-ZINC01558172

 MMsINC code: MMs02175763
Type: Neutral
Formula: C26H29NO5
SMILES:   O(Cc1ccccc1)c1cc(ccc1OC)CC(=O)NCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C26H29NO5/c1-29-22-11-9-19(15-24(22)31-3)13-14-27-26(28)17-21-10-12-23(30-2)25(16-21)32-18-20-7-5-4-6-8-20/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.52 g/mol  logS: -5.39127  SlogP: 4.45914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580047  Sterimol/B1: 2.79212  Sterimol/B2: 2.81156  Sterimol/B3: 5.54063
  Sterimol/B4: 9.37162  Sterimol/L: 20.8377 
 
 Surface and Volume Properties
  Accessible surface: 812.571  Positive charged surface: 594.071  Negative charged surface: 218.5  Volume: 435.5
  Hydrophobic surface: 733.387  Hydrophilic surface: 79.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.