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PUBCHEM-ZINC05765061

MMsINC code: MMs03378595

Type: Neutral
Formula: C20H16O
SMILES:   Oc1cc2c(c3c(cc2)c(c2c(cccc2)c3C)C)cc1
InChI:   InChI=1/C20H16O/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)9-7-14-11-15(21)8-10-19(14)20/h3-11,21H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=130.035 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: 0.026075  Sterimol/B1: 2.19463  Sterimol/B2: 2.57792  Sterimol/B3: 3.33071
  Sterimol/B4: 7.61428  Sterimol/L: 14.8984 
 
 Surface and Volume Properties
  Accessible surface: 485.576  Positive charged surface: 253.948  Negative charged surface: 202.109  Volume: 275.375
  Hydrophobic surface: 434.744  Hydrophilic surface: 50.832
 
 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.