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


PUBCHEM-ZINC05439507

 MMsINC code: MMs03269598
Type: Ionized
Formula: C16H36N2+2
SMILES:   [NH2+](CC1CCC(CC1)C[NH2+]C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C16H34N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3/p+2/t13-,14-

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)=43.5215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -2.14748  SlogP: 1.5166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057947  Sterimol/B1: 2.89751  Sterimol/B2: 3.49461  Sterimol/B3: 4.09737
  Sterimol/B4: 4.89512  Sterimol/L: 16.9813 
 
 Surface and Volume Properties
  Accessible surface: 566.367  Positive charged surface: 456.83  Negative charged surface: 109.537  Volume: 312.625
  Hydrophobic surface: 446.133  Hydrophilic surface: 120.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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:  
   
Parent related molecule:


MMs03269597
PUBCHEM-ZINC05439507