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


ACROSORGANICS-ZINC01667422

 MMsINC code: MMs00010453
Type: Neutral
Formula: C5H10O4
SMILES:   O(C(=O)C)CC(O)CO
InChI:   InChI=1/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/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)=25.7609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.39901  SlogP: -1.0973  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746377  Sterimol/B1: 2.66223  Sterimol/B2: 2.95615  Sterimol/B3: 3.20612
  Sterimol/B4: 3.40571  Sterimol/L: 11.7567 
 
 Surface and Volume Properties
  Accessible surface: 326.996  Positive charged surface: 227.824  Negative charged surface: 99.1719  Volume: 125.5
  Hydrophobic surface: 181.983  Hydrophilic surface: 145.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.