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


ACROSORGANICS-ZINC01706212

 MMsINC code: MMs00011473
Type: Neutral
Formula: C10H24N2
SMILES:   NCCCCCCCCCCN
InChI:   InChI=1/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2

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)=-6.40862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -1.84122  SlogP: 2.0246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246512  Sterimol/B1: 2.12413  Sterimol/B2: 2.37498  Sterimol/B3: 2.37583
  Sterimol/B4: 3.01019  Sterimol/L: 17.9336 
 
 Surface and Volume Properties
  Accessible surface: 466.708  Positive charged surface: 408.114  Negative charged surface: 58.5935  Volume: 216.875
  Hydrophobic surface: 333.965  Hydrophilic surface: 132.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00011474
ACROSORGANICS-ZINC01706212