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


PUBCHEM-ZINC02034874

 MMsINC code: MMs02860778
Type: Neutral
Formula: C9H13N
SMILES:   n1cc(ccc1)CCCC
InChI:   InChI=1/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

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)=20.0186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 135.21 g/mol  logS: -1.83287  SlogP: 2.42417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967835  Sterimol/B1: 2.19058  Sterimol/B2: 3.24903  Sterimol/B3: 3.92327
  Sterimol/B4: 3.9609  Sterimol/L: 12.3344 
 
 Surface and Volume Properties
  Accessible surface: 355.878  Positive charged surface: 263.695  Negative charged surface: 92.1828  Volume: 156.75
  Hydrophobic surface: 315.919  Hydrophilic surface: 39.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.