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


PUBCHEM-ZINC06117528

 MMsINC code: MMs03546548
Type: Neutral
Formula: C11H13N
SMILES:   NC1C2CC(C1)c1c2cccc1
InChI:   InChI=1/C11H13N/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-11H,5-6,12H2/t7-,10-,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)=56.0374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.232 g/mol  logS: -1.59664  SlogP: 1.9885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196444  Sterimol/B1: 2.94158  Sterimol/B2: 3.41328  Sterimol/B3: 4.19317
  Sterimol/B4: 4.48709  Sterimol/L: 10.5635 
 
 Surface and Volume Properties
  Accessible surface: 352.697  Positive charged surface: 241.596  Negative charged surface: 111.101  Volume: 170.625
  Hydrophobic surface: 297.234  Hydrophilic surface: 55.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03546549
PUBCHEM-ZINC06117528