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


PUBCHEM-ZINC05962921

 MMsINC code: MMs03463215
Type: Neutral
Formula: C10H22N2
SMILES:   N(C(C)C)C\C=C\CNC(C)C
InChI:   InChI=1/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/b6-5+

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)=-3.21164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.93908  SlogP: 1.5386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455355  Sterimol/B1: 2.51647  Sterimol/B2: 2.69907  Sterimol/B3: 3.43837
  Sterimol/B4: 4.47463  Sterimol/L: 14.8747 
 
 Surface and Volume Properties
  Accessible surface: 459.145  Positive charged surface: 344.593  Negative charged surface: 114.552  Volume: 211.375
  Hydrophobic surface: 308.045  Hydrophilic surface: 151.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03463216
PUBCHEM-ZINC05962921