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CHEMSTAR-ZINC04209016

 MMsINC code: MMs01111675
Type: Neutral
Formula: C26H18O7
SMILES:   O1c2c(cccc2)C(O)=C(C(C=2C(Oc3c(cccc3)C=2O)=O)c2cc(OC)ccc2)C1
=O
InChI:   InChI=1/C26H18O7/c1-31-15-8-6-7-14(13-15)20(21-23(27)16-9-2-4-11-18(16)32-25(21)29)22-24(28)17-10-3-5-12-19(17)33-26(22)30/h2-13,20,27-28H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.423 g/mol  logS: -7.07311  SlogP: 4.5554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156506  Sterimol/B1: 4.00228  Sterimol/B2: 4.36272  Sterimol/B3: 6.79569
  Sterimol/B4: 7.77472  Sterimol/L: 15.2116 
 
 Surface and Volume Properties
  Accessible surface: 653.973  Positive charged surface: 390.703  Negative charged surface: 263.269  Volume: 389.5
  Hydrophobic surface: 523.452  Hydrophilic surface: 130.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.