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PUBCHEM-ZINC00367443

 MMsINC code: MMs02664719
Type: Neutral
Formula: C11H14O2S2
SMILES:   S1CCCSC1c1cc(OC)ccc1O
InChI:   InChI=1/C11H14O2S2/c1-13-8-3-4-10(12)9(7-8)11-14-5-2-6-15-11/h3-4,7,11-12H,2,5-6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.7014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -3.26197  SlogP: 3.365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393577  Sterimol/B1: 2.87317  Sterimol/B2: 3.05017  Sterimol/B3: 3.15289
  Sterimol/B4: 5.67459  Sterimol/L: 13.5243 
 
 Surface and Volume Properties
  Accessible surface: 432.298  Positive charged surface: 306.889  Negative charged surface: 125.409  Volume: 218.75
  Hydrophobic surface: 337.586  Hydrophilic surface: 94.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.