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


ACROSORGANICS-ZINC01532612

 MMsINC code: MMs00009050
Type: Neutral
Formula: C7H19N3
SMILES:   N(CCCCN)CCCN
InChI:   InChI=1/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

Download   format file 
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)=-9.97661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.25 g/mol  logS: 0.65449  SlogP: -0.3363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325731  Sterimol/B1: 2.21893  Sterimol/B2: 2.42444  Sterimol/B3: 2.50568
  Sterimol/B4: 3.08314  Sterimol/L: 15.3464 
 
 Surface and Volume Properties
  Accessible surface: 410.47  Positive charged surface: 362.853  Negative charged surface: 47.6176  Volume: 173.75
  Hydrophobic surface: 255.393  Hydrophilic surface: 155.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00009051
ACROSORGANICS-ZINC01532612