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


ACROSORGANICS-ZINC01565358

 MMsINC code: MMs00009270
Type: Neutral
Formula: C7H10O2
SMILES:   O(C(=O)C#CCCC)C
InChI:   InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3

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)=5.27049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.155 g/mol  logS: -2.2782  SlogP: 0.962908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310149  Sterimol/B1: 2.37476  Sterimol/B2: 2.3759  Sterimol/B3: 2.63698
  Sterimol/B4: 3.85073  Sterimol/L: 12.1865 
 
 Surface and Volume Properties
  Accessible surface: 351.417  Positive charged surface: 243.325  Negative charged surface: 108.093  Volume: 139.375
  Hydrophobic surface: 256.98  Hydrophilic surface: 94.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.