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


NCID-ZINC01694697

 MMsINC code: MMs02325849
Type: Neutral
Formula: C15H32N2+2
SMILES:   [NH+](CCC[NH+]1CC2(CCC(C1)C2(C)C)C)(C)C
InChI:   InChI=1/C15H30N2/c1-14(2)13-7-8-15(14,3)12-17(11-13)10-6-9-16(4)5/h13H,6-12H2,1-5H3/p+2/t13-,15+/m1/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)=71.744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.435 g/mol  logS: -1.82717  SlogP: -0.138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11597  Sterimol/B1: 2.07779  Sterimol/B2: 2.91957  Sterimol/B3: 5.36101
  Sterimol/B4: 5.84273  Sterimol/L: 15.0348 
 
 Surface and Volume Properties
  Accessible surface: 506.088  Positive charged surface: 449.459  Negative charged surface: 56.6287  Volume: 289
  Hydrophobic surface: 394.435  Hydrophilic surface: 111.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs02325850
NCID-ZINC01694697