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


ACDBLOCKS-ZINC03748663

 MMsINC code: MMs00001773
Type: Neutral
Formula: C10H8ClNO2
SMILES:   Clc1c2c([nH]c(c2)C(O)=O)c(cc1)C
InChI:   InChI=1/C10H8ClNO2/c1-5-2-3-7(11)6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)

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)=20.7356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.632 g/mol  logS: -2.69186  SlogP: 2.82792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01173  Sterimol/B1: 1.969  Sterimol/B2: 2.10564  Sterimol/B3: 2.51239
  Sterimol/B4: 8.0334  Sterimol/L: 11.2986 
 
 Surface and Volume Properties
  Accessible surface: 384.211  Positive charged surface: 173.467  Negative charged surface: 205.183  Volume: 179.75
  Hydrophobic surface: 263.904  Hydrophilic surface: 120.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs00001774
ACDBLOCKS-ZINC03748663