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


NCID-ZINC01733653

 MMsINC code: MMs02356043
Type: Neutral
Formula: C8H7ClO3
SMILES:   Clc1cc(C(O)=O)c(O)c(c1)C
InChI:   InChI=1/C8H7ClO3/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)

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)=31.9833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.594 g/mol  logS: -1.88709  SlogP: 2.05222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242816  Sterimol/B1: 2.09785  Sterimol/B2: 2.50264  Sterimol/B3: 3.06277
  Sterimol/B4: 6.62344  Sterimol/L: 10.5281 
 
 Surface and Volume Properties
  Accessible surface: 348.703  Positive charged surface: 173.626  Negative charged surface: 175.077  Volume: 157
  Hydrophobic surface: 223.863  Hydrophilic surface: 124.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02356044
NCID-ZINC01733653