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


ACROSORGANICS-ZINC01690069

 MMsINC code: MMs00011036
Type: Neutral
Formula: C4H10O3
SMILES:   OC(CCO)CO
InChI:   InChI=1/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1

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)=17.5495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.121 g/mol  logS: 0.81531  SlogP: -1.278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123865  Sterimol/B1: 2.54785  Sterimol/B2: 2.56537  Sterimol/B3: 3.26702
  Sterimol/B4: 3.84649  Sterimol/L: 10.3426 
 
 Surface and Volume Properties
  Accessible surface: 284.125  Positive charged surface: 221.504  Negative charged surface: 62.6207  Volume: 103.125
  Hydrophobic surface: 135.82  Hydrophilic surface: 148.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.