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PUBCHEM-ZINC00684961

 MMsINC code: MMs02727328
Type: Neutral
Formula: C24H20N2O5
SMILES:   O(c1ccccc1COC(=O)c1c2c(ccc1)cccc2)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C24H20N2O5/c1-28-21-14-22(29-2)26-24(25-21)31-20-13-6-4-9-17(20)15-30-23(27)19-12-7-10-16-8-3-5-11-18(16)19/h3-14H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=90.2718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.433 g/mol  logS: -7.42298  SlogP: 5.0627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110285  Sterimol/B1: 2.52158  Sterimol/B2: 5.23504  Sterimol/B3: 6.68905
  Sterimol/B4: 7.71515  Sterimol/L: 16.5751 
 
 Surface and Volume Properties
  Accessible surface: 697.132  Positive charged surface: 441.027  Negative charged surface: 245.892  Volume: 391.125
  Hydrophobic surface: 613.746  Hydrophilic surface: 83.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.