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CHEMBRIDGE-ZINC02983899

MMsINC code: MMs00745300

Type: Neutral
Formula: C20H20O4
SMILES:   O(CCOc1cc2c(cc1)cccc2)c1c(OC)cccc1OC
InChI:   InChI=1/C20H20O4/c1-21-18-8-5-9-19(22-2)20(18)24-13-12-23-17-11-10-15-6-3-4-7-16(15)14-17/h3-11,14H,12-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=114.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.376 g/mol  logS: -5.25862  SlogP: 4.3148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285434  Sterimol/B1: 2.09833  Sterimol/B2: 3.03491  Sterimol/B3: 3.56435
  Sterimol/B4: 9.23731  Sterimol/L: 17.9717 
 
 Surface and Volume Properties
  Accessible surface: 614.752  Positive charged surface: 429.861  Negative charged surface: 174.199  Volume: 321.125
  Hydrophobic surface: 600.02  Hydrophilic surface: 14.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.