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ENAMINE-ZINC05462931

MMsINC code: MMs01616259

Type: Neutral
Formula: C19H20O6
SMILES:   O(C(=O)\C=C\c1cc(OC)c(OC)cc1)c1c(OC)cccc1OC
InChI:   InChI=1/C19H20O6/c1-21-14-10-8-13(12-17(14)24-4)9-11-18(20)25-19-15(22-2)6-5-7-16(19)23-3/h5-12H,1-4H3/b11-9+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=131.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.363 g/mol  logS: -4.20628  SlogP: 3.3398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114301  Sterimol/B1: 2.35216  Sterimol/B2: 4.02299  Sterimol/B3: 5.51307
  Sterimol/B4: 9.50637  Sterimol/L: 17.9795 
 
 Surface and Volume Properties
  Accessible surface: 639.935  Positive charged surface: 470.672  Negative charged surface: 169.262  Volume: 332.125
  Hydrophobic surface: 579.853  Hydrophilic surface: 60.082
 
 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.