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ACROSORGANICS-ZINC04262329

 MMsINC code: MMs00017429
Type: Neutral
Formula: C24H44O6
SMILES:   O1C2CC(CCC2OCCOCCOC2C(OCCOCC1)CCCC2)C(C)(C)C
InChI:   InChI=1/C24H44O6/c1-24(2,3)19-8-9-22-23(18-19)30-17-13-26-11-15-28-21-7-5-4-6-20(21)27-14-10-25-12-16-29-22/h19-23H,4-18H2,1-3H3/t19-,20+,21-,22-,23-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.61 g/mol  logS: -4.56794  SlogP: 3.9942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449102  Sterimol/B1: 2.06544  Sterimol/B2: 5.08839  Sterimol/B3: 5.44882
  Sterimol/B4: 5.62049  Sterimol/L: 20.1265 
 
 Surface and Volume Properties
  Accessible surface: 713.253  Positive charged surface: 600.286  Negative charged surface: 112.967  Volume: 446.5
  Hydrophobic surface: 640.167  Hydrophilic surface: 73.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.