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


ACROSORGANICS-ZINC03861190

 MMsINC code: MMs00015771
Type: Neutral
Formula: C10H17N
SMILES:   NC1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C10H17N/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H2/t6-,7+,8-,9+,10-

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)=20.9033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.253 g/mol  logS: -1.98294  SlogP: 1.7698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.657569  Sterimol/B1: 3.36181  Sterimol/B2: 3.6378  Sterimol/B3: 3.66927
  Sterimol/B4: 4.41327  Sterimol/L: 8.59164 
 
 Surface and Volume Properties
  Accessible surface: 325.642  Positive charged surface: 277.014  Negative charged surface: 48.6277  Volume: 162
  Hydrophobic surface: 274.879  Hydrophilic surface: 50.763
 
 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


MMs00015772
ACROSORGANICS-ZINC03861190