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ENAMINE-ZINC03509611

 MMsINC code: MMs01481903
Type: Neutral
Formula: C26H21NO8
SMILES:   O1CCOc2c1cc(cc2)C(=O)c1ccccc1C(OCC(=O)NCc1cc2OCOc2cc1)=O
InChI:   InChI=1/C26H21NO8/c28-24(27-13-16-5-7-21-22(11-16)35-15-34-21)14-33-26(30)19-4-2-1-3-18(19)25(29)17-6-8-20-23(12-17)32-10-9-31-20/h1-8,11-12H,9-10,13-15H2,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.453 g/mol  logS: -5.98459  SlogP: 3.1571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521467  Sterimol/B1: 2.76117  Sterimol/B2: 3.81671  Sterimol/B3: 4.5369
  Sterimol/B4: 11.6706  Sterimol/L: 19.3032 
 
 Surface and Volume Properties
  Accessible surface: 767.227  Positive charged surface: 499.607  Negative charged surface: 267.62  Volume: 424
  Hydrophobic surface: 586.937  Hydrophilic surface: 180.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.