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


NCID-ZINC01662599

 MMsINC code: MMs02299329
Type: Neutral
Formula: C12H24N2
SMILES:   N(CC1CC=CCC1CN(C)C)(C)C
InChI:   InChI=1/C12H24N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12-/m1/s1

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)=38.4205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.338 g/mol  logS: 0.04252  SlogP: 1.692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197348  Sterimol/B1: 2.09449  Sterimol/B2: 3.14199  Sterimol/B3: 4.88958
  Sterimol/B4: 6.51383  Sterimol/L: 12.1757 
 
 Surface and Volume Properties
  Accessible surface: 451.025  Positive charged surface: 406.62  Negative charged surface: 44.4053  Volume: 233.375
  Hydrophobic surface: 417.04  Hydrophilic surface: 33.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02299330
NCID-ZINC01662599