logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05957738

 MMsINC code: MMs03460463
Type: Ionized
Formula: C11H24NO6+
SMILES:   O(C(C(O)C(O)CO)C(O)C=O)CCC[NH+](C)C
InChI:   InChI=1/C11H23NO6/c1-12(2)4-3-5-18-11(9(16)7-14)10(17)8(15)6-13/h7-11,13,15-17H,3-6H2,1-2H3/p+1/t8-,9+,10-,11-/m1/s1

Download   format file 
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=56.3891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.314 g/mol  logS: 0.96916  SlogP: -3.8199  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0812007  Sterimol/B1: 2.60256  Sterimol/B2: 3.84978  Sterimol/B3: 4.27715
  Sterimol/B4: 6.73031  Sterimol/L: 14.3344 
 
 Surface and Volume Properties
  Accessible surface: 528.57  Positive charged surface: 429.398  Negative charged surface: 99.1723  Volume: 260.625
  Hydrophobic surface: 265.558  Hydrophilic surface: 263.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 1
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs03460462
PUBCHEM-ZINC05957738