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


NCID-ZINC01594385

MMsINC code: MMs02248745

Type: Neutral
Formula: C9H9ClO2
SMILES:   ClC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/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)=29.9327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.622 g/mol  logS: -2.18103  SlogP: 2.34097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073595  Sterimol/B1: 3.14986  Sterimol/B2: 3.19899  Sterimol/B3: 3.60376
  Sterimol/B4: 3.82154  Sterimol/L: 12.0457 
 
 Surface and Volume Properties
  Accessible surface: 367.975  Positive charged surface: 174.097  Negative charged surface: 193.878  Volume: 169.125
  Hydrophobic surface: 220.079  Hydrophilic surface: 147.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02248746
NCID-ZINC01594385