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IBS-ZINC02229648

 MMsINC code: MMs01809863
Type: Neutral
Formula: C11H14Cl2S2
SMILES:   Clc1ccc(Cl)cc1SSCCCCC
InChI:   InChI=1/C11H14Cl2S2/c1-2-3-4-7-14-15-11-8-9(12)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.4517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.271 g/mol  logS: -6.53808  SlogP: 5.9239  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0934118  Sterimol/B1: 2.38699  Sterimol/B2: 4.48572  Sterimol/B3: 5.20484
  Sterimol/B4: 5.33944  Sterimol/L: 14.2584 
 
 Surface and Volume Properties
  Accessible surface: 493.325  Positive charged surface: 227.854  Negative charged surface: 265.472  Volume: 250.125
  Hydrophobic surface: 434.533  Hydrophilic surface: 58.792
 
 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.