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NCID-ZINC01639111

 MMsINC code: MMs02281426
Type: Neutral
Formula: C34H30O2
SMILES:   Oc1c(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1O
InChI:   InChI=1/C34H30O2/c35-33-31(23-27-17-9-3-10-18-27)29(21-25-13-5-1-6-14-25)30(22-26-15-7-2-8-16-26)32(34(33)36)24-28-19-11-4-12-20-28/h1-20,35-36H,21-24H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=212.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.612 g/mol  logS: -8.4996  SlogP: 7.46088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.490278  Sterimol/B1: 2.33513  Sterimol/B2: 2.45585  Sterimol/B3: 8.25265
  Sterimol/B4: 11.6094  Sterimol/L: 16.2088 
 
 Surface and Volume Properties
  Accessible surface: 735.549  Positive charged surface: 409.433  Negative charged surface: 326.116  Volume: 481.125
  Hydrophobic surface: 677.117  Hydrophilic surface: 58.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.