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


ACROSORGANICS-ZINC04759343

 MMsINC code: MMs00018553
Type: Tautomer
Formula: C8H18N2
SMILES:   N(C\C=C/CN(C)C)(C)C
InChI:   InChI=1/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5-

Download   format file 
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)=37.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.246 g/mol  logS: 0.10786  SlogP: 0.6658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103857  Sterimol/B1: 2.91731  Sterimol/B2: 2.94223  Sterimol/B3: 3.51662
  Sterimol/B4: 4.52135  Sterimol/L: 12.0501 
 
 Surface and Volume Properties
  Accessible surface: 378.367  Positive charged surface: 353.98  Negative charged surface: 24.3871  Volume: 174.125
  Hydrophobic surface: 347.527  Hydrophilic surface: 30.84
 
 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:  
   
Parent related molecule:


MMs00018552
ACROSORGANICS-ZINC04759343