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PEAKDALE-ZINC01496678

 MMsINC code: MMs02610105
Type: Neutral
Formula: C14H14N2O5
SMILES:   O(c1cc(ccc1)C(OC)=O)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-6-4-5-9(7-10)13(17)20-3/h4-8H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.275 g/mol  logS: -3.7772  SlogP: 2.0727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11124  Sterimol/B1: 2.47873  Sterimol/B2: 2.73429  Sterimol/B3: 5.27048
  Sterimol/B4: 7.5794  Sterimol/L: 16.323 
 
 Surface and Volume Properties
  Accessible surface: 527.308  Positive charged surface: 397.567  Negative charged surface: 129.741  Volume: 265
  Hydrophobic surface: 429.853  Hydrophilic surface: 97.455
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.