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


PUBCHEM-ZINC05964812

 MMsINC code: MMs03465188
Type: Neutral
Formula: C10H24N2
SMILES:   N(C(CC)(C)C)CCNC(C)C
InChI:   InChI=1/C10H24N2/c1-6-10(4,5)12-8-7-11-9(2)3/h9,11-12H,6-8H2,1-5H3

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)=25.6709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.96224  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787547  Sterimol/B1: 3.11677  Sterimol/B2: 3.29212  Sterimol/B3: 3.69412
  Sterimol/B4: 3.81629  Sterimol/L: 14.3961 
 
 Surface and Volume Properties
  Accessible surface: 437.72  Positive charged surface: 327.804  Negative charged surface: 109.916  Volume: 214.5
  Hydrophobic surface: 310.365  Hydrophilic surface: 127.355
 
 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


MMs03465189
PUBCHEM-ZINC05964812