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


NCID-ZINC01717447

 MMsINC code: MMs02342880
Type: Neutral
Formula: C6H14N2O
SMILES:   O=CN(CCN(C)C)C
InChI:   InChI=1/C6H14N2O/c1-7(2)4-5-8(3)6-9/h6H,4-5H2,1-3H3

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)=20.2614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.191 g/mol  logS: 0.54871  SlogP: -0.3638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13366  Sterimol/B1: 1.98588  Sterimol/B2: 2.7413  Sterimol/B3: 3.40572
  Sterimol/B4: 4.69065  Sterimol/L: 10.7401 
 
 Surface and Volume Properties
  Accessible surface: 336.515  Positive charged surface: 302.582  Negative charged surface: 33.9332  Volume: 145.5
  Hydrophobic surface: 276.723  Hydrophilic surface: 59.792
 
 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


MMs02342881
NCID-ZINC01717447