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NCID-ZINC01849870

 MMsINC code: MMs02371523
Type: Neutral
Formula: C30H24O6
SMILES:   O1C=C(c2cc(O)c(OCc3ccccc3)cc2OC)C(=O)c2c1cc(OCc1ccccc1)cc2
InChI:   InChI=1/C30H24O6/c1-33-27-16-29(35-18-21-10-6-3-7-11-21)26(31)15-24(27)25-19-36-28-14-22(12-13-23(28)30(25)32)34-17-20-8-4-2-5-9-20/h2-16,19,31H,17-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.516 g/mol  logS: -7.58427  SlogP: 6.7078  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0258743  Sterimol/B1: 2.3543  Sterimol/B2: 3.23827  Sterimol/B3: 4.45385
  Sterimol/B4: 7.74616  Sterimol/L: 26.838 
 
 Surface and Volume Properties
  Accessible surface: 822.027  Positive charged surface: 488.141  Negative charged surface: 333.886  Volume: 457.625
  Hydrophobic surface: 725.683  Hydrophilic surface: 96.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.