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PUBCHEM-ZINC06070470

MMsINC code: MMs03523332

Type: Neutral
Formula: C20H16O
SMILES:   Oc1c2cc(c3c(cc(c4c3cccc4)C)c2ccc1)C
InChI:   InChI=1/C20H16O/c1-12-10-18-15-8-5-9-19(21)17(15)11-13(2)20(18)16-7-4-3-6-14(12)16/h3-11,21H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=111.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.347 g/mol  logS: -7.60441  SlogP: 5.46864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350135  Sterimol/B1: 2.3073  Sterimol/B2: 2.66999  Sterimol/B3: 3.14905
  Sterimol/B4: 8.21631  Sterimol/L: 14.1738 
 
 Surface and Volume Properties
  Accessible surface: 481.611  Positive charged surface: 261.315  Negative charged surface: 193.202  Volume: 275.75
  Hydrophobic surface: 436.373  Hydrophilic surface: 45.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1

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Ions/Tautomers related molecules: no related molecules available.