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ASINEX-ZINC04189442

MMsINC code: MMs00316567

Type: Neutral
Formula: C20H20N2O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)Nc1cc(OC)cc2c1nccc2
InChI:   InChI=1/C20H20N2O5/c1-24-14-8-12-6-5-7-21-18(12)15(11-14)22-20(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=143.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.389 g/mol  logS: -4.14493  SlogP: 3.5215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289979  Sterimol/B1: 2.73804  Sterimol/B2: 2.84167  Sterimol/B3: 3.52249
  Sterimol/B4: 8.73059  Sterimol/L: 16.753 
 
 Surface and Volume Properties
  Accessible surface: 641.245  Positive charged surface: 502.488  Negative charged surface: 133.578  Volume: 344.25
  Hydrophobic surface: 563.316  Hydrophilic surface: 77.929
 
 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: 1

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Ions/Tautomers related molecules: no related molecules available.