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CHEMBRIDGE-ZINC01200111

 MMsINC code: MMs00686364
Type: Neutral
Formula: C26H22N2O5
SMILES:   O1c2cc(ccc2OC1)CNC(=O)c1cc(nc2c1cccc2)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C26H22N2O5/c1-30-22-10-8-17(12-24(22)31-2)21-13-19(18-5-3-4-6-20(18)28-21)26(29)27-14-16-7-9-23-25(11-16)33-15-32-23/h3-13H,14-15H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.471 g/mol  logS: -6.33849  SlogP: 4.8441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397392  Sterimol/B1: 2.48683  Sterimol/B2: 3.71153  Sterimol/B3: 3.89853
  Sterimol/B4: 13.8442  Sterimol/L: 18.5949 
 
 Surface and Volume Properties
  Accessible surface: 751.742  Positive charged surface: 499.072  Negative charged surface: 241.296  Volume: 411.75
  Hydrophobic surface: 619.995  Hydrophilic surface: 131.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.