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NCID-ZINC01567491

 MMsINC code: MMs02228523
Type: Neutral
Formula: C10H10O2S2
SMILES:   S=C(OC)c1cc(ccc1)C(=S)OC
InChI:   InChI=1/C10H10O2S2/c1-11-9(13)7-4-3-5-8(6-7)10(14)12-2/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -4.6549  SlogP: 2.3304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229529  Sterimol/B1: 3.26532  Sterimol/B2: 3.54658  Sterimol/B3: 3.59837
  Sterimol/B4: 5.64747  Sterimol/L: 14.2037 
 
 Surface and Volume Properties
  Accessible surface: 435.874  Positive charged surface: 255.274  Negative charged surface: 180.6  Volume: 206.75
  Hydrophobic surface: 301.991  Hydrophilic surface: 133.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.