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PUBCHEM-ZINC05963543

 MMsINC code: MMs03463922
Type: Neutral
Formula: C24H26O4
SMILES:   O1CCOC1(c1ccc(cc1)C(O)=O)c1cc2c(cc1)C(C=CC2(C)C)(C)C
InChI:   InChI=1/C24H26O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.468 g/mol  logS: -6.99832  SlogP: 5.0692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260016  Sterimol/B1: 2.315  Sterimol/B2: 3.87642  Sterimol/B3: 7.35341
  Sterimol/B4: 7.37918  Sterimol/L: 14.9302 
 
 Surface and Volume Properties
  Accessible surface: 636.009  Positive charged surface: 426.857  Negative charged surface: 209.152  Volume: 375.25
  Hydrophobic surface: 448.75  Hydrophilic surface: 187.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03463923
PUBCHEM-ZINC05963543