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SIAL-ZINC04521145

 MMsINC code: MMs03916516
Type: Neutral
Formula: C11H23NO5
SMILES:   O1CCOCCOCCOCCOCC1CN
InChI:   InChI=1/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.307 g/mol  logS: -0.14394  SlogP: -0.5897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250438  Sterimol/B1: 3.23081  Sterimol/B2: 4.05843  Sterimol/B3: 4.15575
  Sterimol/B4: 7.0134  Sterimol/L: 10.7095 
 
 Surface and Volume Properties
  Accessible surface: 445.101  Positive charged surface: 399.128  Negative charged surface: 45.9727  Volume: 245.5
  Hydrophobic surface: 345.603  Hydrophilic surface: 99.498
 
 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


MMs03916517
SIAL-ZINC04521145