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


ACROSORGANICS-ZINC00157284

 MMsINC code: MMs00005623
Type: Ionized
Formula: C10H15O4-
SMILES:   OC(=O)CC1(CCCCC1)CC(=O)[O-]
InChI:   InChI=1/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)/p-1

Download   format file 
Drug Similarity  |  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)=13.4307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.226 g/mol  logS: -2.28234  SlogP: 0.5516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333421  Sterimol/B1: 3.36347  Sterimol/B2: 3.52477  Sterimol/B3: 3.86909
  Sterimol/B4: 4.75771  Sterimol/L: 9.90537 
 
 Surface and Volume Properties
  Accessible surface: 377.813  Positive charged surface: 239.835  Negative charged surface: 137.978  Volume: 189.5
  Hydrophobic surface: 215.389  Hydrophilic surface: 162.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs00005622
ACROSORGANICS-ZINC00157284