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


PUBCHEM-ZINC04725569

 MMsINC code: MMs03163552
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(N1CCCC1)C1CCN(CC1)CC(C)C
InChI:   InChI=1/C14H26N2O/c1-12(2)11-15-9-5-13(6-10-15)14(17)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3

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)=23.3365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -1.147  SlogP: 1.9768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681911  Sterimol/B1: 2.24167  Sterimol/B2: 3.02248  Sterimol/B3: 4.37696
  Sterimol/B4: 4.53122  Sterimol/L: 15.9685 
 
 Surface and Volume Properties
  Accessible surface: 500.009  Positive charged surface: 403.808  Negative charged surface: 96.2005  Volume: 264
  Hydrophobic surface: 430.17  Hydrophilic surface: 69.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs03163553
PUBCHEM-ZINC04725569