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


PUBCHEM-ZINC05839090

 MMsINC code: MMs03409678
Type: Neutral
Formula: C10H16N-
SMILES:   [NH-]C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H16N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2/q-1/t7-,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)=28.8764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.245 g/mol  logS: -2.13277  SlogP: 2.2381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.766147  Sterimol/B1: 2.4219  Sterimol/B2: 3.23253  Sterimol/B3: 4.53645
  Sterimol/B4: 4.88688  Sterimol/L: 8.70006 
 
 Surface and Volume Properties
  Accessible surface: 323.557  Positive charged surface: 253.193  Negative charged surface: 70.3634  Volume: 162.625
  Hydrophobic surface: 277.842  Hydrophilic surface: 45.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 1  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.