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


PUBCHEM-ZINC06203555

 MMsINC code: MMs03611125
Type: Neutral
Formula: C14H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCCC)C)C(C)C)C
InChI:   InChI=1/C14H28N2O3/c1-6-7-8-9-11(4)15-14(18)16-12(10(2)3)13(17)19-5/h10-12H,6-9H2,1-5H3,(H2,15,16,18)/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)=19.1559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.1451  SlogP: 2.452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106354  Sterimol/B1: 2.55533  Sterimol/B2: 3.28693  Sterimol/B3: 4.85705
  Sterimol/B4: 7.59775  Sterimol/L: 17.1007 
 
 Surface and Volume Properties
  Accessible surface: 573.617  Positive charged surface: 442.758  Negative charged surface: 130.858  Volume: 292.25
  Hydrophobic surface: 418.835  Hydrophilic surface: 154.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.