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


PUBCHEM-ZINC05751808

 MMsINC code: MMs03371089
Type: Neutral
Formula: C10H19N
SMILES:   N1C2CC(CC2)C(C)(C)C1C
InChI:   InChI=1/C10H19N/c1-7-10(2,3)8-4-5-9(6-8)11-7/h7-9,11H,4-6H2,1-3H3/t7-,8+,9-/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)=57.8478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.26932  SlogP: 2.173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.527114  Sterimol/B1: 2.39682  Sterimol/B2: 2.50072  Sterimol/B3: 4.50413
  Sterimol/B4: 5.3365  Sterimol/L: 8.72608 
 
 Surface and Volume Properties
  Accessible surface: 337.783  Positive charged surface: 252.462  Negative charged surface: 85.3211  Volume: 176.5
  Hydrophobic surface: 269.003  Hydrophilic surface: 68.78
 
 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


MMs03371090
PUBCHEM-ZINC05751808