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


NCID-ZINC01605073

 MMsINC code: MMs02257366
Type: Neutral
Formula: C8H14O4
SMILES:   OC(=O)C(CCCCC)C(O)=O
InChI:   InChI=1/C8H14O4/c1-2-3-4-5-6(7(9)10)8(11)12/h6H,2-5H2,1H3,(H,9,10)(H,11,12)

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)=-3.70294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.196 g/mol  logS: -1.72679  SlogP: 1.3521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600489  Sterimol/B1: 2.58632  Sterimol/B2: 3.10798  Sterimol/B3: 3.67498
  Sterimol/B4: 4.23279  Sterimol/L: 12.9872 
 
 Surface and Volume Properties
  Accessible surface: 383.936  Positive charged surface: 265.467  Negative charged surface: 118.47  Volume: 169.125
  Hydrophobic surface: 189.445  Hydrophilic surface: 194.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02257367
NCID-ZINC01605073