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CHEMBRIDGE-ZINC04756129

 MMsINC code: MMs00785486
Type: Tautomer
Formula: C24H18O4
SMILES:   O=C(CC(=O)c1ccccc1)c1ccc(cc1)C(=O)CC(=O)c1ccccc1
InChI:   InChI=1/C24H18O4/c25-21(17-7-3-1-4-8-17)15-23(27)19-11-13-20(14-12-19)24(28)16-22(26)18-9-5-2-6-10-18/h1-14H,15-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.404 g/mol  logS: -5.95704  SlogP: 4.598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00228245  Sterimol/B1: 2.37277  Sterimol/B2: 2.37791  Sterimol/B3: 2.76165
  Sterimol/B4: 7.88564  Sterimol/L: 21.7331 
 
 Surface and Volume Properties
  Accessible surface: 657.201  Positive charged surface: 343.991  Negative charged surface: 313.21  Volume: 359.5
  Hydrophobic surface: 534.208  Hydrophilic surface: 122.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs00785485
CHEMBRIDGE-ZINC04756129