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CHEMBRIDGE-ZINC01807427

 MMsINC code: MMs00698442
Type: Neutral
Formula: C26H22O9
SMILES:   O1C=C(Oc2ccc(OC)cc2)C(=O)c2c1cc(OC(=O)c1cc(OC)c(OC)c(OC)c1)c
c2
InChI:   InChI=1/C26H22O9/c1-29-16-5-7-17(8-6-16)34-23-14-33-20-13-18(9-10-19(20)24(23)27)35-26(28)15-11-21(30-2)25(32-4)22(12-15)31-3/h5-14H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.453 g/mol  logS: -6.61611  SlogP: 4.4357  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0680235  Sterimol/B1: 2.90303  Sterimol/B2: 3.58706  Sterimol/B3: 6.01288
  Sterimol/B4: 6.77509  Sterimol/L: 22.9935 
 
 Surface and Volume Properties
  Accessible surface: 788.772  Positive charged surface: 553.986  Negative charged surface: 234.786  Volume: 430.75
  Hydrophobic surface: 686.088  Hydrophilic surface: 102.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.