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ASINEX-ZINC01033169

 MMsINC code: MMs00228081
Type: Neutral
Formula: C10H5ClFNOS2
SMILES:   Clc1cccc(F)c1\C=C\1/SC(=S)NC/1=O
InChI:   InChI=1/C10H5ClFNOS2/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4-

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Potential Energy
Epot(MMFF94)=53.9071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.739 g/mol  logS: -5.37321  SlogP: 2.9679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612441  Sterimol/B1: 3.4865  Sterimol/B2: 3.68716  Sterimol/B3: 4.01044
  Sterimol/B4: 4.65251  Sterimol/L: 12.6301 
 
 Surface and Volume Properties
  Accessible surface: 419.552  Positive charged surface: 147.704  Negative charged surface: 271.848  Volume: 207.75
  Hydrophobic surface: 235.739  Hydrophilic surface: 183.813
 
 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
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Ions/Tautomers related molecules: no related molecules available.