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


IBS-ZINC00507374

 MMsINC code: MMs01742807
Type: Neutral
Formula: C10H12O3
SMILES:   O(C)c1ccc(cc1O)C(=O)CC
InChI:   InChI=1/C10H12O3/c1-3-8(11)7-4-5-10(13-2)9(12)6-7/h4-6,12H,3H2,1-2H3

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)=48.8953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.203 g/mol  logS: -1.58735  SlogP: 1.9935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231647  Sterimol/B1: 2.4056  Sterimol/B2: 2.41007  Sterimol/B3: 2.97042
  Sterimol/B4: 4.79224  Sterimol/L: 13.1301 
 
 Surface and Volume Properties
  Accessible surface: 386.903  Positive charged surface: 270.308  Negative charged surface: 116.594  Volume: 177.625
  Hydrophobic surface: 276.022  Hydrophilic surface: 110.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.