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


ALFAAESAR-ZINC01769407

 MMsINC code: MMs00022174
Type: Neutral
Formula: C5H10O
SMILES:   OCCC1CC1
InChI:   InChI=1/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2

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)=17.6857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.134 g/mol  logS: -0.84538  SlogP: 0.7788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161522  Sterimol/B1: 2.46969  Sterimol/B2: 2.69132  Sterimol/B3: 3.22955
  Sterimol/B4: 3.70858  Sterimol/L: 9.31772 
 
 Surface and Volume Properties
  Accessible surface: 278.524  Positive charged surface: 208.483  Negative charged surface: 70.0416  Volume: 101.5
  Hydrophobic surface: 183.744  Hydrophilic surface: 94.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.