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APOLLO-ZINC04276744

 MMsINC code: MMs00057371
Type: Neutral
Formula: C30H26O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(c1c2c(ccc1O)cccc2)c1c2c(ccc1O)cccc2
InChI:   InChI=1/C30H26O5/c1-33-25-16-20(17-26(34-2)30(25)35-3)27(28-21-10-6-4-8-18(21)12-14-23(28)31)29-22-11-7-5-9-19(22)13-15-24(29)32/h4-17,27,31-32H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=224.261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.533 g/mol  logS: -8.01327  SlogP: 6.6102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.359956  Sterimol/B1: 2.20766  Sterimol/B2: 5.44976  Sterimol/B3: 7.14187
  Sterimol/B4: 8.59052  Sterimol/L: 15.3817 
 
 Surface and Volume Properties
  Accessible surface: 693.84  Positive charged surface: 478.042  Negative charged surface: 205.324  Volume: 442.625
  Hydrophobic surface: 648.574  Hydrophilic surface: 45.266
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.