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


PUBCHEM-ZINC03033003

 MMsINC code: MMs02983404
Type: Neutral
Formula: C16H30O2
SMILES:   O=C1CCCC1CCCCCCCCCCCO
InChI:   InChI=1/C16H30O2/c17-14-9-7-5-3-1-2-4-6-8-11-15-12-10-13-16(15)18/h15,17H,1-14H2/t15-/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)=15.6292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -4.12198  SlogP: 4.2489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219014  Sterimol/B1: 3.1691  Sterimol/B2: 3.23886  Sterimol/B3: 3.40323
  Sterimol/B4: 3.82718  Sterimol/L: 21.6017 
 
 Surface and Volume Properties
  Accessible surface: 599.373  Positive charged surface: 481.99  Negative charged surface: 117.382  Volume: 292.5
  Hydrophobic surface: 510.825  Hydrophilic surface: 88.548
 
 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.