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


PUBCHEM-ZINC06203894

 MMsINC code: MMs03611466
Type: Ionized
Formula: C14H27N2O4-
SMILES:   O(CCCC)CCCNC(=O)NC(C(CC)C)C(=O)[O-]
InChI:   InChI=1/C14H28N2O4/c1-4-6-9-20-10-7-8-15-14(19)16-12(13(17)18)11(3)5-2/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t11-,12-/m1/s1

Download   format file 
Similarity to PDB ligands  
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)=-1.09524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.38 g/mol  logS: -2.4952  SlogP: 0.657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0353314  Sterimol/B1: 2.89913  Sterimol/B2: 4.30057  Sterimol/B3: 4.30659
  Sterimol/B4: 4.8433  Sterimol/L: 20.598 
 
 Surface and Volume Properties
  Accessible surface: 607.669  Positive charged surface: 443.756  Negative charged surface: 163.913  Volume: 299.75
  Hydrophobic surface: 413.545  Hydrophilic surface: 194.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03611465
PUBCHEM-ZINC06203894