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CHEMBRIDGE-ZINC02882858

 MMsINC code: MMs00734601
Type: Neutral
Formula: C26H22N2O3
SMILES:   O(C)c1cc2c(cc1C(=O)Nc1ccc(NC(=O)Cc3ccccc3)cc1)cccc2
InChI:   InChI=1/C26H22N2O3/c1-31-24-17-20-10-6-5-9-19(20)16-23(24)26(30)28-22-13-11-21(12-14-22)27-25(29)15-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.473 g/mol  logS: -7.31459  SlogP: 5.28187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045352  Sterimol/B1: 2.45682  Sterimol/B2: 3.7348  Sterimol/B3: 4.79718
  Sterimol/B4: 8.93645  Sterimol/L: 21.3761 
 
 Surface and Volume Properties
  Accessible surface: 725.261  Positive charged surface: 447.378  Negative charged surface: 266.978  Volume: 399.875
  Hydrophobic surface: 650.748  Hydrophilic surface: 74.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.