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


PUBCHEM-ZINC06494968

 MMsINC code: MMs03767604
Type: Neutral
Formula: C6H12N-
SMILES:   [N-]1CCCCC1C
InChI:   InChI=1/C6H12N/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3/q-1/t6-/m0/s1

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)=5.90441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.169 g/mol  logS: -0.46323  SlogP: 1.9325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18987  Sterimol/B1: 2.79529  Sterimol/B2: 2.99561  Sterimol/B3: 3.38433
  Sterimol/B4: 3.84847  Sterimol/L: 8.8393 
 
 Surface and Volume Properties
  Accessible surface: 284.295  Positive charged surface: 212.282  Negative charged surface: 72.0131  Volume: 118
  Hydrophobic surface: 248.185  Hydrophilic surface: 36.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  Basic groups: 0
  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: no related molecules available.