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


APOLLO-ZINC00156743

 MMsINC code: MMs00044556
Type: Ionized
Formula: C11H6ClO3-
SMILES:   Clc1cc(ccc1)-c1oc(cc1)C(=O)[O-]
InChI:   InChI=1/C11H7ClO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)/p-1

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)=35.6389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.619 g/mol  logS: -4.49577  SlogP: 1.9635  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.07497e-08  Sterimol/B1: 2.09701  Sterimol/B2: 2.09753  Sterimol/B3: 2.62288
  Sterimol/B4: 5.69271  Sterimol/L: 13.172 
 
 Surface and Volume Properties
  Accessible surface: 403.422  Positive charged surface: 144.401  Negative charged surface: 259.022  Volume: 190.75
  Hydrophobic surface: 305.229  Hydrophilic surface: 98.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs00044555
APOLLO-ZINC00156743