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ACROSORGANICS-ZINC04262590

 MMsINC code: MMs00017679
Type: Neutral
Formula: C11H22O6
SMILES:   O1CCOCCOCCOCCOCC1CO
InChI:   InChI=1/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.291 g/mol  logS: -0.25004  SlogP: -0.5561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265714  Sterimol/B1: 2.98303  Sterimol/B2: 4.40313  Sterimol/B3: 5.23909
  Sterimol/B4: 5.779  Sterimol/L: 10.7026 
 
 Surface and Volume Properties
  Accessible surface: 435.446  Positive charged surface: 385.033  Negative charged surface: 50.4134  Volume: 243.75
  Hydrophobic surface: 351.368  Hydrophilic surface: 84.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.