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PUBCHEM-ZINC06094906

MMsINC code: MMs03540989

Type: Neutral
Formula: C20H12O
SMILES:   Oc1cc2c(c3c4c5c2cccc5ccc4ccc3)cc1
InChI:   InChI=1/C20H12O/c21-14-9-10-15-16-5-1-3-12-7-8-13-4-2-6-17(18(15)11-14)20(13)19(12)16/h1-11,21H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=95.0989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.315 g/mol  logS: -7.98595  SlogP: 5.4428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00258811  Sterimol/B1: 2.12299  Sterimol/B2: 2.21479  Sterimol/B3: 2.55555
  Sterimol/B4: 9.48598  Sterimol/L: 12.9673 
 
 Surface and Volume Properties
  Accessible surface: 468.253  Positive charged surface: 214.393  Negative charged surface: 209.575  Volume: 260.75
  Hydrophobic surface: 416.273  Hydrophilic surface: 51.98
 
 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: 0

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Ions/Tautomers related molecules: no related molecules available.