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APOLLO-ZINC02570475

 MMsINC code: MMs00054580
Type: Neutral
Formula: C12H6Cl4S2
SMILES:   Clc1cc(SSc2cc(Cl)c(Cl)cc2)ccc1Cl
InChI:   InChI=1/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.124 g/mol  logS: -8.2711  SlogP: 7.0996  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.166527  Sterimol/B1: 3.75117  Sterimol/B2: 3.78331  Sterimol/B3: 4.98367
  Sterimol/B4: 5.87051  Sterimol/L: 13.4583 
 
 Surface and Volume Properties
  Accessible surface: 510.081  Positive charged surface: 112.657  Negative charged surface: 397.424  Volume: 267
  Hydrophobic surface: 510.081  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.