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


ACROSORGANICS-ZINC02512368

 MMsINC code: MMs00013795
Type: Neutral
Formula: C5H10O2
SMILES:   O(C(C=C)CO)C
InChI:   InChI=1/C5H10O2/c1-3-5(4-6)7-2/h3,5-6H,1,4H2,2H3/t5-/m0/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)=31.9513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: -0.02687  SlogP: 0.1797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224354  Sterimol/B1: 2.31228  Sterimol/B2: 2.70302  Sterimol/B3: 3.02302
  Sterimol/B4: 5.44931  Sterimol/L: 8.38997 
 
 Surface and Volume Properties
  Accessible surface: 288.86  Positive charged surface: 227.356  Negative charged surface: 61.5039  Volume: 111.375
  Hydrophobic surface: 194.726  Hydrophilic surface: 94.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.