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PUBCHEM-ZINC05501114

 MMsINC code: MMs03288643
Type: Neutral
Formula: C24H26O4
SMILES:   O=C(CC(=O)C(=O)CC(=O)c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C24H26O4/c1-15(2)17-5-9-19(10-6-17)21(25)13-23(27)24(28)14-22(26)20-11-7-18(8-12-20)16(3)4/h5-12,15-16H,13-14H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.468 g/mol  logS: -7.2243  SlogP: 4.9174  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0168658  Sterimol/B1: 2.37432  Sterimol/B2: 3.79425  Sterimol/B3: 4.87606
  Sterimol/B4: 5.08751  Sterimol/L: 23.1121 
 
 Surface and Volume Properties
  Accessible surface: 707.083  Positive charged surface: 432.168  Negative charged surface: 274.915  Volume: 387
  Hydrophobic surface: 506.604  Hydrophilic surface: 200.479
 
 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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Ions/Tautomers related molecules


MMs03288644
PUBCHEM-ZINC05501114