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ENAMINE-ZINC03201264

 MMsINC code: MMs01304414
Type: Neutral
Formula: C7H10O2S5
SMILES:   S1C(SCCO)=C(SC1=S)SCCO
InChI:   InChI=1/C7H10O2S5/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h8-9H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.485 g/mol  logS: -4.55579  SlogP: 2.3289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019529  Sterimol/B1: 2.08938  Sterimol/B2: 2.37517  Sterimol/B3: 2.3759
  Sterimol/B4: 8.76365  Sterimol/L: 15.151 
 
 Surface and Volume Properties
  Accessible surface: 479.707  Positive charged surface: 248.302  Negative charged surface: 231.405  Volume: 224.875
  Hydrophobic surface: 160.752  Hydrophilic surface: 318.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.