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


PUBCHEM-ZINC05574903

 MMsINC code: MMs03311300
Type: Neutral
Formula: C10H21N
SMILES:   NC1CCCCC1C(C)(C)C
InChI:   InChI=1/C10H21N/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/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)=47.9486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -2.50047  SlogP: 2.55  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260228  Sterimol/B1: 1.969  Sterimol/B2: 3.70765  Sterimol/B3: 4.53952
  Sterimol/B4: 4.65591  Sterimol/L: 10.1117 
 
 Surface and Volume Properties
  Accessible surface: 357.543  Positive charged surface: 280.295  Negative charged surface: 77.2475  Volume: 184.125
  Hydrophobic surface: 269.682  Hydrophilic surface: 87.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03311301
PUBCHEM-ZINC05574903