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


PUBCHEM-ZINC06483199

 MMsINC code: MMs03759570
Type: Neutral
Formula: C14H24O4
SMILES:   O(C1CCCCC1C(O)=O)C1CCCCC1OC
InChI:   InChI=1/C14H24O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/t10-,11+,12+,13+/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)=37.3367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -1.85343  SlogP: 2.604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173028  Sterimol/B1: 2.408  Sterimol/B2: 2.46197  Sterimol/B3: 4.93022
  Sterimol/B4: 7.97037  Sterimol/L: 12.0991 
 
 Surface and Volume Properties
  Accessible surface: 469.568  Positive charged surface: 385.26  Negative charged surface: 84.3083  Volume: 261.375
  Hydrophobic surface: 393.22  Hydrophilic surface: 76.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03759571
PUBCHEM-ZINC06483199