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PUBCHEM-ZINC00336304

 MMsINC code: MMs02657853
Type: Neutral
Formula: C7H3Cl2NS
SMILES:   Clc1cc(Cl)cc2scnc12
InChI:   InChI=1/C7H3Cl2NS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.08 g/mol  logS: -3.53857  SlogP: 3.6031  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.20277e-07  Sterimol/B1: 2.1847  Sterimol/B2: 2.1853  Sterimol/B3: 2.55505
  Sterimol/B4: 6.52043  Sterimol/L: 10.9459 
 
 Surface and Volume Properties
  Accessible surface: 341.505  Positive charged surface: 112.801  Negative charged surface: 228.704  Volume: 155.625
  Hydrophobic surface: 291.669  Hydrophilic surface: 49.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.