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


AURORAFEINCHEMIE-ZINC06733583

 MMsINC code: MMs00480406
Type: Neutral
Formula: C11H21N3+2
SMILES:   [NH3+]C(CCCCC[NH3+])c1ncccc1
InChI:   InChI=1/C11H19N3/c12-8-4-1-2-6-10(13)11-7-3-5-9-14-11/h3,5,7,9-10H,1-2,4,6,8,12-13H2/p+2/t10-/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)=23.2479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.31 g/mol  logS: -0.39424  SlogP: 0.2624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542355  Sterimol/B1: 2.42152  Sterimol/B2: 2.82769  Sterimol/B3: 3.65751
  Sterimol/B4: 5.72205  Sterimol/L: 15.712 
 
 Surface and Volume Properties
  Accessible surface: 470.123  Positive charged surface: 399.163  Negative charged surface: 70.9602  Volume: 220
  Hydrophobic surface: 328.694  Hydrophilic surface: 141.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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


MMs00480407
AURORAFEINCHEMIE-ZINC06733583