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


NCID-ZINC05083105

 MMsINC code: MMs02438236
Type: Neutral
Formula: C11H23NO
SMILES:   O1CC(NC1(CCC)CCC)CC
InChI:   InChI=1/C11H23NO/c1-4-7-11(8-5-2)12-10(6-3)9-13-11/h10,12H,4-9H2,1-3H3/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)=21.4965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.3223  SlogP: 2.6813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197607  Sterimol/B1: 2.4193  Sterimol/B2: 3.16355  Sterimol/B3: 4.32437
  Sterimol/B4: 8.14216  Sterimol/L: 11.9904 
 
 Surface and Volume Properties
  Accessible surface: 428.103  Positive charged surface: 330.521  Negative charged surface: 97.5817  Volume: 216.125
  Hydrophobic surface: 344.27  Hydrophilic surface: 83.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.