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


MAYBRIDGE-ZINC00403289

 MMsINC code: MMs02147524
Type: Ionized
Formula: C11H18NO4-
SMILES:   O(C(C)(C)C)C(=O)N1CC(CCC1)C(=O)[O-]
InChI:   InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m0/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)=3.87843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.268 g/mol  logS: -1.28072  SlogP: 0.3834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110482  Sterimol/B1: 2.25414  Sterimol/B2: 3.81595  Sterimol/B3: 4.97255
  Sterimol/B4: 4.99262  Sterimol/L: 13.2197 
 
 Surface and Volume Properties
  Accessible surface: 447.51  Positive charged surface: 306.319  Negative charged surface: 141.191  Volume: 222.625
  Hydrophobic surface: 297.006  Hydrophilic surface: 150.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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
  search links for this molecule:  
   
Parent related molecule:


MMs02147523
MAYBRIDGE-ZINC00403289