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ASINEX-ZINC01033070

 MMsINC code: MMs00228080
Type: Neutral
Formula: C10H5Cl2NOS2
SMILES:   Clc1cc(ccc1Cl)\C=C\1/SC(=S)NC/1=O
InChI:   InChI=1/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)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)=48.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.194 g/mol  logS: -5.81252  SlogP: 3.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013823  Sterimol/B1: 2.54766  Sterimol/B2: 2.79623  Sterimol/B3: 2.79915
  Sterimol/B4: 6.4811  Sterimol/L: 13.7818 
 
 Surface and Volume Properties
  Accessible surface: 442.193  Positive charged surface: 125.473  Negative charged surface: 316.72  Volume: 221.375
  Hydrophobic surface: 256.301  Hydrophilic surface: 185.892
 
 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.