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NCID-ZINC01664623

 MMsINC code: MMs02300841
Type: Neutral
Formula: C12H8Cl2S2
SMILES:   Clc1ccccc1SSc1ccccc1Cl
InChI:   InChI=1/C12H8Cl2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.1135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.234 g/mol  logS: -6.80252  SlogP: 5.7928  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151936  Sterimol/B1: 2.55662  Sterimol/B2: 2.97518  Sterimol/B3: 5.14627
  Sterimol/B4: 5.83269  Sterimol/L: 12.3956 
 
 Surface and Volume Properties
  Accessible surface: 457.652  Positive charged surface: 152.617  Negative charged surface: 305.036  Volume: 238.875
  Hydrophobic surface: 457.652  Hydrophilic surface: 0
 
 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.