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CHEMBRIDGE-ZINC01230648

 MMsINC code: MMs00692297
Type: Neutral
Formula: C26H24N2O6
SMILES:   O(C(=O)c1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccc(cc2)C(OCC)=O)cc1)CC
InChI:   InChI=1/C26H24N2O6/c1-3-33-25(31)19-9-13-21(14-10-19)27-23(29)17-5-7-18(8-6-17)24(30)28-22-15-11-20(12-16-22)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.486 g/mol  logS: -6.74274  SlogP: 4.5446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00480539  Sterimol/B1: 2.73387  Sterimol/B2: 2.9557  Sterimol/B3: 2.98737
  Sterimol/B4: 5.91685  Sterimol/L: 29.3245 
 
 Surface and Volume Properties
  Accessible surface: 807.834  Positive charged surface: 489.526  Negative charged surface: 318.308  Volume: 433
  Hydrophobic surface: 609.764  Hydrophilic surface: 198.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.