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


PUBCHEM-ZINC03599272

 MMsINC code: MMs03018632
Type: Neutral
Formula: C11H24N2O
SMILES:   O=C(NC(CCC)CCC)NCCC
InChI:   InChI=1/C11H24N2O/c1-4-7-10(8-5-2)13-11(14)12-9-6-3/h10H,4-9H2,1-3H3,(H2,12,13,14)

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)=-17.5122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: -2.22171  SlogP: 2.6644  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0636027  Sterimol/B1: 2.10657  Sterimol/B2: 2.81388  Sterimol/B3: 3.18155
  Sterimol/B4: 9.34225  Sterimol/L: 14.2287 
 
 Surface and Volume Properties
  Accessible surface: 487.428  Positive charged surface: 383.419  Negative charged surface: 104.01  Volume: 231.5
  Hydrophobic surface: 370.586  Hydrophilic surface: 116.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.