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CHEMBLOCK-ZINC03088575

 MMsINC code: MMs00535947
Type: Neutral
Formula: C26H20N2O3
SMILES:   O(C(=O)Cc1c2c(ccc1)cccc2)c1ccc(cc1)\C=N\NC(=O)c1ccccc1
InChI:   InChI=1/C26H20N2O3/c29-25(17-22-11-6-10-20-7-4-5-12-24(20)22)31-23-15-13-19(14-16-23)18-27-28-26(30)21-8-2-1-3-9-21/h1-16,18H,17H2,(H,28,30)/b27-18+

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Potential Energy
Epot(MMFF94)=141.554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.457 g/mol  logS: -7.59156  SlogP: 4.75177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448116  Sterimol/B1: 3.27102  Sterimol/B2: 5.06327  Sterimol/B3: 5.06492
  Sterimol/B4: 5.18055  Sterimol/L: 21.7984 
 
 Surface and Volume Properties
  Accessible surface: 738.491  Positive charged surface: 402.999  Negative charged surface: 327.163  Volume: 398.5
  Hydrophobic surface: 631.414  Hydrophilic surface: 107.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.