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PUBCHEM-ZINC06117912

 MMsINC code: MMs03546955
Type: Neutral
Formula: C26H22O
SMILES:   OC1CCCCC1c1c2c3c4c(cc2)cccc4ccc3c2c1cccc2
InChI:   InChI=1/C26H22O/c27-23-11-4-3-10-21(23)25-19-9-2-1-8-18(19)20-14-12-16-6-5-7-17-13-15-22(25)26(20)24(16)17/h1-2,5-9,12-15,21,23,27H,3-4,10-11H2/t21-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.461 g/mol  logS: -9.32432  SlogP: 6.7557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879724  Sterimol/B1: 2.5434  Sterimol/B2: 3.71759  Sterimol/B3: 4.49568
  Sterimol/B4: 10.4294  Sterimol/L: 14.2933 
 
 Surface and Volume Properties
  Accessible surface: 554.237  Positive charged surface: 321.62  Negative charged surface: 201.427  Volume: 353.125
  Hydrophobic surface: 514.727  Hydrophilic surface: 39.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.