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


ACROSORGANICS-ZINC04261977

 MMsINC code: MMs00017076
Type: Neutral
Formula: C8H16N+
SMILES:   [NH3+]CCC=1CCCCC=1
InChI:   InChI=1/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2/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)=6.93096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.223 g/mol  logS: -1.22486  SlogP: 1.1188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100409  Sterimol/B1: 2.88802  Sterimol/B2: 3.02737  Sterimol/B3: 3.60784
  Sterimol/B4: 3.80574  Sterimol/L: 11.0747 
 
 Surface and Volume Properties
  Accessible surface: 346.109  Positive charged surface: 300.402  Negative charged surface: 45.7065  Volume: 152.25
  Hydrophobic surface: 251.753  Hydrophilic surface: 94.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00017077
ACROSORGANICS-ZINC04261977