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CHEMBLOCK-ZINC01661533

 MMsINC code: MMs00528534
Type: Neutral
Formula: C10H5Cl2NOS2
SMILES:   Clc1cc(Cl)ccc1\C=C\1/SC(=S)NC/1=O
InChI:   InChI=1/C10H5Cl2NOS2/c11-6-2-1-5(7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-3-

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Potential Energy
Epot(MMFF94)=50.6315 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: 0.0119145  Sterimol/B1: 2.14358  Sterimol/B2: 3.21616  Sterimol/B3: 3.36942
  Sterimol/B4: 6.49713  Sterimol/L: 13.8041 
 
 Surface and Volume Properties
  Accessible surface: 439.221  Positive charged surface: 118.124  Negative charged surface: 321.097  Volume: 220.375
  Hydrophobic surface: 251.992  Hydrophilic surface: 187.229
 
 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.