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


PUBCHEM-ZINC06203872

 MMsINC code: MMs03611445
Type: Neutral
Formula: C14H28N2O4
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)/t11-,12-/m0/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)=8.84649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -2.23475  SlogP: 1.9917  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0260779  Sterimol/B1: 2.66706  Sterimol/B2: 3.16918  Sterimol/B3: 3.477
  Sterimol/B4: 4.94176  Sterimol/L: 21.665 
 
 Surface and Volume Properties
  Accessible surface: 611.633  Positive charged surface: 466.621  Negative charged surface: 145.012  Volume: 298.5
  Hydrophobic surface: 412.534  Hydrophilic surface: 199.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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:  
   

Ions/Tautomers related molecules


MMs03611446
PUBCHEM-ZINC06203872