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PUBCHEM-ZINC00435487

 MMsINC code: MMs02683293
Type: Neutral
Formula: C14H15NO6
SMILES:   o1nc(-c2cc(OC)c(OC)c(OC)c2)c(c1)C(OC)=O
InChI:   InChI=1/C14H15NO6/c1-17-10-5-8(6-11(18-2)13(10)19-3)12-9(7-21-15-12)14(16)20-4/h5-7H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.275 g/mol  logS: -2.95928  SlogP: 2.154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690987  Sterimol/B1: 2.56426  Sterimol/B2: 2.68243  Sterimol/B3: 4.08324
  Sterimol/B4: 8.33258  Sterimol/L: 14.0035 
 
 Surface and Volume Properties
  Accessible surface: 517.989  Positive charged surface: 395.484  Negative charged surface: 122.506  Volume: 262.25
  Hydrophobic surface: 446.652  Hydrophilic surface: 71.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.