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


PUBCHEM-ZINC03608902

 MMsINC code: MMs03021074
Type: Ionized
Formula: C15H30NO3+
SMILES:   O1CC[NH+](CC1)CCOC(=O)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C15H29NO3/c1-14(2,3)12-15(4,5)13(17)19-11-8-16-6-9-18-10-7-16/h6-12H2,1-5H3/p+1

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)=73.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.409 g/mol  logS: -2.83724  SlogP: 0.9071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157748  Sterimol/B1: 2.39382  Sterimol/B2: 3.98224  Sterimol/B3: 4.21746
  Sterimol/B4: 6.52134  Sterimol/L: 14.3217 
 
 Surface and Volume Properties
  Accessible surface: 523.359  Positive charged surface: 421.926  Negative charged surface: 101.433  Volume: 299.5
  Hydrophobic surface: 404.328  Hydrophilic surface: 119.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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
  search links for this molecule:  
   
Parent related molecule:


MMs03021073
PUBCHEM-ZINC03608902