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


IBS-ZINC02307391

 MMsINC code: MMs01828687
Type: Neutral
Formula: C14H7ClFNO2S2
SMILES:   Clc1cc(ccc1F)-c1oc(cc1)\C=C/1\SC(=S)NC\1=O
InChI:   InChI=1/C14H7ClFNO2S2/c15-9-5-7(1-3-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6+

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)=49.7889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.798 g/mol  logS: -7.51996  SlogP: 4.2279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00311526  Sterimol/B1: 2.37424  Sterimol/B2: 2.41653  Sterimol/B3: 3.6561
  Sterimol/B4: 6.62527  Sterimol/L: 16.6453 
 
 Surface and Volume Properties
  Accessible surface: 515.603  Positive charged surface: 181.588  Negative charged surface: 334.015  Volume: 268.125
  Hydrophobic surface: 335.587  Hydrophilic surface: 180.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.