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


PUBCHEM-ZINC06870939

 MMsINC code: MMs03884499
Type: Ionized
Formula: C15H19N2+
SMILES:   [NH2+](Cc1ccc(cc1)CC)Cc1ncccc1
InChI:   InChI=1/C15H18N2/c1-2-13-6-8-14(9-7-13)11-16-12-15-5-3-4-10-17-15/h3-10,16H,2,11-12H2,1H3/p+1

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)=32.8191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.331 g/mol  logS: -2.75281  SlogP: 2.44037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043045  Sterimol/B1: 3.13315  Sterimol/B2: 3.445  Sterimol/B3: 4.09892
  Sterimol/B4: 4.38141  Sterimol/L: 17.0225 
 
 Surface and Volume Properties
  Accessible surface: 511.53  Positive charged surface: 360.411  Negative charged surface: 151.119  Volume: 252.875
  Hydrophobic surface: 456.777  Hydrophilic surface: 54.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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:


MMs03884498
PUBCHEM-ZINC06870939