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


ASINEX-ZINC06677584

 MMsINC code: MMs00442101
Type: Neutral
Formula: C8H15N3
SMILES:   n1ccn(CCCN)c1CC
InChI:   InChI=1/C8H15N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-4,6,9H2,1H3

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)=7.77617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.229 g/mol  logS: 0.0297  SlogP: 1.06067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149436  Sterimol/B1: 2.31665  Sterimol/B2: 2.52603  Sterimol/B3: 3.72178
  Sterimol/B4: 6.82117  Sterimol/L: 10.8495 
 
 Surface and Volume Properties
  Accessible surface: 370.644  Positive charged surface: 297.76  Negative charged surface: 72.8835  Volume: 171.125
  Hydrophobic surface: 248.143  Hydrophilic surface: 122.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs00442103
ASINEX-ZINC06677584


MMs00442102
ASINEX-ZINC06677584