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SIAL-ZINC04974162

 MMsINC code: MMs03926594
Type: Neutral
Formula: C13H27NO6
SMILES:   O1CCOCCOCCOCCOCCOCC1CN
InChI:   InChI=1/C13H27NO6/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13H,1-12,14H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=110.812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.36 g/mol  logS: -0.28658  SlogP: -0.5731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721288  Sterimol/B1: 2.8711  Sterimol/B2: 3.2063  Sterimol/B3: 5.7784
  Sterimol/B4: 6.62019  Sterimol/L: 14.2193 
 
 Surface and Volume Properties
  Accessible surface: 560.686  Positive charged surface: 529.698  Negative charged surface: 30.9887  Volume: 294.25
  Hydrophobic surface: 481.215  Hydrophilic surface: 79.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.