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


CHEMSTAR-ZINC02736899

 MMsINC code: MMs01081920
Type: Ionized
Formula: C10H8ClFNO3-
SMILES:   Clc1cc(NC(=O)CCC(=O)[O-])ccc1F
InChI:   InChI=1/C10H9ClFNO3/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)/p-1

Download   format file 
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)=19.1197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.629 g/mol  logS: -2.63637  SlogP: 0.9477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0118127  Sterimol/B1: 2.36968  Sterimol/B2: 2.37146  Sterimol/B3: 2.74143
  Sterimol/B4: 5.5088  Sterimol/L: 14.7398 
 
 Surface and Volume Properties
  Accessible surface: 428.206  Positive charged surface: 185.618  Negative charged surface: 242.588  Volume: 200.125
  Hydrophobic surface: 288.308  Hydrophilic surface: 139.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs01081919
CHEMSTAR-ZINC02736899