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ACROSORGANICS-ZINC04262209

 MMsINC code: MMs00017324
Type: Neutral
Formula: C14H29NO6
SMILES:   O1CCN(CCOCCOCCOCCOCC1)COC
InChI:   InChI=1/C14H29NO6/c1-16-14-15-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15/h2-14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.387 g/mol  logS: -0.19861  SlogP: -0.0111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142485  Sterimol/B1: 2.31109  Sterimol/B2: 5.75338  Sterimol/B3: 5.87084
  Sterimol/B4: 6.26596  Sterimol/L: 13.1171 
 
 Surface and Volume Properties
  Accessible surface: 576.811  Positive charged surface: 545.863  Negative charged surface: 30.9484  Volume: 311.75
  Hydrophobic surface: 536.272  Hydrophilic surface: 40.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.