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IBS-ZINC02299326

MMsINC code: MMs01827101

Type: Neutral
Formula: C20H20O2
SMILES:   o1c2c(cc(cc2)C)c(Cc2ccccc2)c1CCC(=O)C
InChI:   InChI=1/C20H20O2/c1-14-8-10-19-17(12-14)18(13-16-6-4-3-5-7-16)20(22-19)11-9-15(2)21/h3-8,10,12H,9,11,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=56.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.378 g/mol  logS: -5.51564  SlogP: 4.85356  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.097837  Sterimol/B1: 2.77718  Sterimol/B2: 3.36081  Sterimol/B3: 4.41353
  Sterimol/B4: 8.64025  Sterimol/L: 15.0957 
 
 Surface and Volume Properties
  Accessible surface: 559.502  Positive charged surface: 335.53  Negative charged surface: 220.177  Volume: 306
  Hydrophobic surface: 512.264  Hydrophilic surface: 47.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.