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CHEMBRIDGE-ZINC00950753

 MMsINC code: MMs00647641
Type: Neutral
Formula: C27H24O8
SMILES:   O1C=C(Oc2ccc(cc2)CC)C(=O)c2c1cc(OC(=O)c1cc(OC)c(OC)c(OC)c1)c
c2
InChI:   InChI=1/C27H24O8/c1-5-16-6-8-18(9-7-16)34-24-15-33-21-14-19(10-11-20(21)25(24)28)35-27(29)17-12-22(30-2)26(32-4)23(13-17)31-3/h6-15H,5H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.481 g/mol  logS: -7.55487  SlogP: 4.98947  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0443554  Sterimol/B1: 2.84974  Sterimol/B2: 5.57269  Sterimol/B3: 5.78124
  Sterimol/B4: 6.09653  Sterimol/L: 24.5338 
 
 Surface and Volume Properties
  Accessible surface: 802.183  Positive charged surface: 547.491  Negative charged surface: 254.692  Volume: 441.25
  Hydrophobic surface: 686.475  Hydrophilic surface: 115.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.