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


PUBCHEM-ZINC06203642

 MMsINC code: MMs03611214
Type: Neutral
Formula: C16H32N2O3
SMILES:   O(C(=O)C(NC(=O)N(CCCC)CCCC)CC(C)C)C
InChI:   InChI=1/C16H32N2O3/c1-6-8-10-18(11-9-7-2)16(20)17-14(12-13(3)4)15(19)21-5/h13-14H,6-12H2,1-5H3,(H,17,20)/t14-/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)=25.0626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.443 g/mol  logS: -3.55433  SlogP: 3.1859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301668  Sterimol/B1: 2.2749  Sterimol/B2: 4.25978  Sterimol/B3: 6.63443
  Sterimol/B4: 9.96278  Sterimol/L: 15.2635 
 
 Surface and Volume Properties
  Accessible surface: 618.786  Positive charged surface: 486.354  Negative charged surface: 132.433  Volume: 327.875
  Hydrophobic surface: 492.827  Hydrophilic surface: 125.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  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:  
   

Ions/Tautomers related molecules: no related molecules available.