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SIAL-ZINC04521145

 MMsINC code: MMs03916517
Type: Ionized
Formula: C11H24NO5+
SMILES:   O1CCOCCOCCOCCOCC1C[NH3+]
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/p+1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=67.3219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.315 g/mol  logS: -0.11955  SlogP: -1.3065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261095  Sterimol/B1: 2.64735  Sterimol/B2: 3.06216  Sterimol/B3: 4.48134
  Sterimol/B4: 7.5069  Sterimol/L: 11.4192 
 
 Surface and Volume Properties
  Accessible surface: 447.817  Positive charged surface: 418.68  Negative charged surface: 29.1374  Volume: 250
  Hydrophobic surface: 376.987  Hydrophilic surface: 70.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03916516
SIAL-ZINC04521145