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


IBS-ZINC04765674

 MMsINC code: MMs01892265
Type: Neutral
Formula: C11H10O4
SMILES:   OC(=O)C1(CC1c1ccccc1)C(O)=O
InChI:   InChI=1/C11H10O4/c12-9(13)11(10(14)15)6-8(11)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)/t8-/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)=50.1985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.197 g/mol  logS: -1.2678  SlogP: 1.3295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168795  Sterimol/B1: 2.57738  Sterimol/B2: 3.89623  Sterimol/B3: 4.02184
  Sterimol/B4: 4.07082  Sterimol/L: 12.0533 
 
 Surface and Volume Properties
  Accessible surface: 389.966  Positive charged surface: 219.404  Negative charged surface: 170.011  Volume: 184.875
  Hydrophobic surface: 214.785  Hydrophilic surface: 175.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01892266
IBS-ZINC04765674