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PUBCHEM-ZINC04528775

 MMsINC code: MMs03128823
Type: Neutral
Formula: C24H42O6
SMILES:   O(CCOCCOCCOCCOCCO)c1ccc(cc1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C24H42O6/c1-23(2,3)20-24(4,5)21-6-8-22(9-7-21)30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25/h6-9,25H,10-20H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.594 g/mol  logS: -5.88374  SlogP: 3.8379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467687  Sterimol/B1: 3.03393  Sterimol/B2: 4.766  Sterimol/B3: 5.56651
  Sterimol/B4: 5.93763  Sterimol/L: 24.3575 
 
 Surface and Volume Properties
  Accessible surface: 849.651  Positive charged surface: 684.145  Negative charged surface: 165.507  Volume: 450.25
  Hydrophobic surface: 703.641  Hydrophilic surface: 146.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: no related molecules available.