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


PUBCHEM-ZINC06118742

 MMsINC code: MMs03547739
Type: Neutral
Formula: C15H27NO
SMILES:   O=C(N1CCCCC1CC)CCC1CCCC1
InChI:   InChI=1/C15H27NO/c1-2-14-9-5-6-12-16(14)15(17)11-10-13-7-3-4-8-13/h13-14H,2-12H2,1H3/t14-/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)=52.2209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.387 g/mol  logS: -3.62344  SlogP: 3.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616614  Sterimol/B1: 2.52244  Sterimol/B2: 2.86021  Sterimol/B3: 3.85548
  Sterimol/B4: 7.52289  Sterimol/L: 14.3347 
 
 Surface and Volume Properties
  Accessible surface: 506.211  Positive charged surface: 411.876  Negative charged surface: 94.3351  Volume: 267.75
  Hydrophobic surface: 466.574  Hydrophilic surface: 39.637
 
 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: no related molecules available.