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PUBCHEM-ZINC05647289

 MMsINC code: MMs03334165
Type: Neutral
Formula: C22H16O3
SMILES:   O1C2=CC(=O)C=CC2=C(Cc2ccccc2)C(c2ccccc2)=C1O
InChI:   InChI=1/C22H16O3/c23-17-11-12-18-19(13-15-7-3-1-4-8-15)21(16-9-5-2-6-10-16)22(24)25-20(18)14-17/h1-12,14,24H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.367 g/mol  logS: -6.319  SlogP: 4.50547  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175166  Sterimol/B1: 2.3179  Sterimol/B2: 2.39492  Sterimol/B3: 5.00827
  Sterimol/B4: 9.2106  Sterimol/L: 14.7745 
 
 Surface and Volume Properties
  Accessible surface: 533.516  Positive charged surface: 301.318  Negative charged surface: 229.394  Volume: 317.375
  Hydrophobic surface: 439.713  Hydrophilic surface: 93.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.