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CHEMSTAR-ZINC04179475

 MMsINC code: MMs01110353
Type: Neutral
Formula: C26H18O7
SMILES:   O1c2c(cccc2)C(O)=C(C(C=2C(Oc3c(cccc3)C=2O)=O)c2ccc(OC)cc2)C1
=O
InChI:   InChI=1/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(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)=169.848 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: 0.206134  Sterimol/B1: 2.57235  Sterimol/B2: 4.08388  Sterimol/B3: 6.32911
  Sterimol/B4: 9.74107  Sterimol/L: 16.2525 
 
 Surface and Volume Properties
  Accessible surface: 654.634  Positive charged surface: 388.624  Negative charged surface: 266.01  Volume: 387.875
  Hydrophobic surface: 525.316  Hydrophilic surface: 129.318
 
 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.