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


LOPAC-ZINC03870796

 MMsINC code: MMs02125909
Type: Neutral
Formula: C10H21NO
SMILES:   OC(CN)C1CCCCCCC1
InChI:   InChI=1/C10H21NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h9-10,12H,1-8,11H2/t10-/m0/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)=86.3066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.28417  SlogP: 1.6665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196658  Sterimol/B1: 2.29356  Sterimol/B2: 3.51277  Sterimol/B3: 4.43765
  Sterimol/B4: 4.46781  Sterimol/L: 11.1599 
 
 Surface and Volume Properties
  Accessible surface: 377.669  Positive charged surface: 298.491  Negative charged surface: 79.1772  Volume: 190.5
  Hydrophobic surface: 275.035  Hydrophilic surface: 102.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02125910
LOPAC-ZINC03870796