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


MAYBRIDGE-ZINC04336621

 MMsINC code: MMs02168777
Type: Neutral
Formula: C15H28O2
SMILES:   OC(=O)CCC1CCCCCCCCCCC1
InChI:   InChI=1/C15H28O2/c16-15(17)13-12-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H,16,17)

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)=73.6108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.87611  SlogP: 4.7721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111625  Sterimol/B1: 2.25164  Sterimol/B2: 4.15424  Sterimol/B3: 4.39948
  Sterimol/B4: 5.52501  Sterimol/L: 14.2222 
 
 Surface and Volume Properties
  Accessible surface: 476.224  Positive charged surface: 349.926  Negative charged surface: 126.297  Volume: 269.625
  Hydrophobic surface: 376.758  Hydrophilic surface: 99.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02168778
MAYBRIDGE-ZINC04336621