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


PUBCHEM-ZINC06451726

 MMsINC code: MMs03740643
Type: Neutral
Formula: C10H19N
SMILES:   N(C)(C)C1CCCC=CCC1
InChI:   InChI=1/C10H19N/c1-11(2)10-8-6-4-3-5-7-9-10/h3-4,10H,5-9H2,1-2H3/b4-3+/t10-/m1/s1

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)=85.7974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -0.82569  SlogP: 2.4369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259623  Sterimol/B1: 2.42155  Sterimol/B2: 4.27537  Sterimol/B3: 4.37883
  Sterimol/B4: 4.41075  Sterimol/L: 10.1331 
 
 Surface and Volume Properties
  Accessible surface: 358.47  Positive charged surface: 297.615  Negative charged surface: 60.855  Volume: 180.625
  Hydrophobic surface: 337.828  Hydrophilic surface: 20.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03740644
PUBCHEM-ZINC06451726