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


PUBCHEM-ZINC05784565

 MMsINC code: MMs03384878
Type: Neutral
Formula: C15H30O3
SMILES:   OC(CCCCCCCCCC(O)=O)CCCC
InChI:   InChI=1/C15H30O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/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)=0.991691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.402 g/mol  logS: -4.00659  SlogP: 4.133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018015  Sterimol/B1: 2.44364  Sterimol/B2: 2.9772  Sterimol/B3: 3.08552
  Sterimol/B4: 3.70434  Sterimol/L: 23.1091 
 
 Surface and Volume Properties
  Accessible surface: 607.137  Positive charged surface: 478.245  Negative charged surface: 128.892  Volume: 290.25
  Hydrophobic surface: 447.969  Hydrophilic surface: 159.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03384879
PUBCHEM-ZINC05784565