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


PUBCHEM-ZINC03734403

 MMsINC code: MMs03062912
Type: Neutral
Formula: C12H24N2
SMILES:   N1CCC(C)C1C1CCN(CC1)CC
InChI:   InChI=1/C12H24N2/c1-3-14-8-5-11(6-9-14)12-10(2)4-7-13-12/h10-13H,3-9H2,1-2H3/t10-,12-/m0/s1

Download   format file 
Drug Similarity  |  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)=22.7877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.338 g/mol  logS: -0.96544  SlogP: 1.7163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744726  Sterimol/B1: 2.60756  Sterimol/B2: 3.45375  Sterimol/B3: 3.46096
  Sterimol/B4: 4.86293  Sterimol/L: 13.3566 
 
 Surface and Volume Properties
  Accessible surface: 432.232  Positive charged surface: 368.271  Negative charged surface: 63.9606  Volume: 228
  Hydrophobic surface: 370.09  Hydrophilic surface: 62.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03062913
PUBCHEM-ZINC03734403