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PUBCHEM-ZINC05502900

 MMsINC code: MMs03289854
Type: Neutral
Formula: C24H30O5
SMILES:   O(c1ccc(cc1)C(OCCCCC)=O)c1ccc(cc1)C(OCCCCC)=O
InChI:   InChI=1/C24H30O5/c1-3-5-7-17-27-23(25)19-9-13-21(14-10-19)29-22-15-11-20(12-16-22)24(26)28-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.5478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.499 g/mol  logS: -7.04989  SlogP: 6.1729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171145  Sterimol/B1: 2.83384  Sterimol/B2: 3.5894  Sterimol/B3: 3.83854
  Sterimol/B4: 6.80256  Sterimol/L: 27.4566 
 
 Surface and Volume Properties
  Accessible surface: 784.513  Positive charged surface: 542.885  Negative charged surface: 241.629  Volume: 406.375
  Hydrophobic surface: 662.197  Hydrophilic surface: 122.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.