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


PUBCHEM-ZINC03705298

 MMsINC code: MMs03051125
Type: Neutral
Formula: C11H15N
SMILES:   N1CC(CC1c1ccccc1)C
InChI:   InChI=1/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1

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)=36.8307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.248 g/mol  logS: -1.87953  SlogP: 2.4526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969847  Sterimol/B1: 2.49306  Sterimol/B2: 3.02387  Sterimol/B3: 3.73915
  Sterimol/B4: 4.25259  Sterimol/L: 12.4211 
 
 Surface and Volume Properties
  Accessible surface: 378.743  Positive charged surface: 256.62  Negative charged surface: 122.123  Volume: 181.5
  Hydrophobic surface: 338.235  Hydrophilic surface: 40.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03051126
PUBCHEM-ZINC03705298