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


PUBCHEM-ZINC06095974

 MMsINC code: MMs03542060
Type: Neutral
Formula: C10H13N
SMILES:   NC1(CCC1)c1ccccc1
InChI:   InChI=1/C10H13N/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2

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)=54.8175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.221 g/mol  logS: -1.80395  SlogP: 2.336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128042  Sterimol/B1: 3.28848  Sterimol/B2: 3.39575  Sterimol/B3: 3.54794
  Sterimol/B4: 4.18392  Sterimol/L: 10.8504 
 
 Surface and Volume Properties
  Accessible surface: 348.187  Positive charged surface: 119.425  Negative charged surface: 95.6241  Volume: 164.125
  Hydrophobic surface: 303.357  Hydrophilic surface: 44.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.