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ENAMINE-ZINC03255867

 MMsINC code: MMs01333435
Type: Neutral
Formula: C26H23NO7
SMILES:   O(C(=O)C)c1cc(ccc1OC(=O)C)C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O
InChI:   InChI=1/C26H23NO7/c1-17(28)33-22-14-13-21(15-23(22)34-18(2)29)26(31)32-16-24(30)27-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,25H,16H2,1-2H3,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.47 g/mol  logS: -6.18202  SlogP: 3.6953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473679  Sterimol/B1: 3.36118  Sterimol/B2: 3.52976  Sterimol/B3: 5.48372
  Sterimol/B4: 7.90545  Sterimol/L: 20.6527 
 
 Surface and Volume Properties
  Accessible surface: 794.623  Positive charged surface: 437.962  Negative charged surface: 356.662  Volume: 431.125
  Hydrophobic surface: 646.581  Hydrophilic surface: 148.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.