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PUBCHEM-ZINC02047364

 MMsINC code: MMs02865357
Type: Neutral
Formula: C24H24O4
SMILES:   O(CC(O)=O)c1cc(C)c(Cc2cc(Cc3ccccc3)c(O)cc2)c(c1)C
InChI:   InChI=1/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.452 g/mol  logS: -5.9363  SlogP: 4.65398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151228  Sterimol/B1: 2.22148  Sterimol/B2: 2.83901  Sterimol/B3: 5.36892
  Sterimol/B4: 10.0291  Sterimol/L: 14.9575 
 
 Surface and Volume Properties
  Accessible surface: 641.957  Positive charged surface: 389.293  Negative charged surface: 252.664  Volume: 374.25
  Hydrophobic surface: 494.686  Hydrophilic surface: 147.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02865358
PUBCHEM-ZINC02047364