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


ENAMINE-ZINC01668206

 MMsINC code: MMs01243235
Type: Neutral
Formula: C8H16N2O
SMILES:   O=C(N(C)C)C1CCNCC1
InChI:   InChI=1/C8H16N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3

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)=22.042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.229 g/mol  logS: 0.26708  SlogP: 0.0742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122679  Sterimol/B1: 2.78538  Sterimol/B2: 3.09626  Sterimol/B3: 3.2842
  Sterimol/B4: 4.44737  Sterimol/L: 10.7256 
 
 Surface and Volume Properties
  Accessible surface: 351.77  Positive charged surface: 311.579  Negative charged surface: 40.1904  Volume: 165.875
  Hydrophobic surface: 295.577  Hydrophilic surface: 56.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01243236
ENAMINE-ZINC01668206