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PUBCHEM-ZINC06233609

 MMsINC code: MMs03627185
Type: Neutral
Formula: C26H20N2O6
SMILES:   O1c2cc(\N=C\C=3c4c(cccc4)C(=O)N(C=3O)c3ccc(cc3)C(OCC)=O)ccc2
OC1
InChI:   InChI=1/C26H20N2O6/c1-2-32-26(31)16-7-10-18(11-8-16)28-24(29)20-6-4-3-5-19(20)21(25(28)30)14-27-17-9-12-22-23(13-17)34-15-33-22/h3-14,30H,2,15H2,1H3/b27-14+

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Potential Energy
Epot(MMFF94)=151.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.454 g/mol  logS: -6.23195  SlogP: 4.8815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310141  Sterimol/B1: 2.37596  Sterimol/B2: 3.76306  Sterimol/B3: 5.22252
  Sterimol/B4: 8.79544  Sterimol/L: 23.0772 
 
 Surface and Volume Properties
  Accessible surface: 743.333  Positive charged surface: 457.624  Negative charged surface: 285.708  Volume: 413.625
  Hydrophobic surface: 557.731  Hydrophilic surface: 185.602
 
 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.