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


CHEMBRIDGE-ZINC03002638

 MMsINC code: MMs00750809
Type: Neutral
Formula: C15H32N2
SMILES:   N(CCCNCCC(CCC=C(C)C)C)(C)C
InChI:   InChI=1/C15H32N2/c1-14(2)8-6-9-15(3)10-12-16-11-7-13-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-/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)=32.9651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.435 g/mol  logS: -2.87042  SlogP: 3.3003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397396  Sterimol/B1: 2.1162  Sterimol/B2: 2.35157  Sterimol/B3: 4.63844
  Sterimol/B4: 5.67342  Sterimol/L: 20.3033 
 
 Surface and Volume Properties
  Accessible surface: 589.589  Positive charged surface: 494.067  Negative charged surface: 95.522  Volume: 298.25
  Hydrophobic surface: 535.939  Hydrophilic surface: 53.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00750810
CHEMBRIDGE-ZINC03002638