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


AURORAFEINCHEMIE-ZINC00615630

 MMsINC code: MMs00447636
Type: Neutral
Formula: C15H15N2+
SMILES:   [nH+]1c2c(n(C)c1-c1ccc(cc1)C)cccc2
InChI:   InChI=1/C15H14N2/c1-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17(15)2/h3-10H,1-2H3/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)=44.3068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.299 g/mol  logS: -4.83378  SlogP: 3.32702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480816  Sterimol/B1: 3.00099  Sterimol/B2: 3.1006  Sterimol/B3: 4.1104
  Sterimol/B4: 4.46174  Sterimol/L: 14.6955 
 
 Surface and Volume Properties
  Accessible surface: 464.32  Positive charged surface: 306.789  Negative charged surface: 157.531  Volume: 236
  Hydrophobic surface: 403.059  Hydrophilic surface: 61.261
 
 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:  
   

Ions/Tautomers related molecules


MMs00447637
AURORAFEINCHEMIE-ZINC00615630