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NCID-ZINC01687758

 MMsINC code: MMs02320438
Type: Neutral
Formula: C7H4Cl4S2
SMILES:   Clc1ccc(SSC(Cl)(Cl)Cl)cc1
InChI:   InChI=1/C7H4Cl4S2/c8-5-1-3-6(4-2-5)12-13-7(9,10)11/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.4839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.053 g/mol  logS: -6.70809  SlogP: 5.8279  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0697254  Sterimol/B1: 2.56142  Sterimol/B2: 3.41476  Sterimol/B3: 3.45847
  Sterimol/B4: 5.32654  Sterimol/L: 12.5078 
 
 Surface and Volume Properties
  Accessible surface: 412.713  Positive charged surface: 71.2973  Negative charged surface: 341.415  Volume: 208
  Hydrophobic surface: 226.4  Hydrophilic surface: 186.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.