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PUBCHEM-ZINC02387210

 MMsINC code: MMs02886648
Type: Neutral
Formula: C4H10O2S2
SMILES:   S(SCCC)(=O)(=O)C
InChI:   InChI=1/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.60731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.254 g/mol  logS: -1.33449  SlogP: 1.0892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156196  Sterimol/B1: 2.56421  Sterimol/B2: 2.66812  Sterimol/B3: 4.03485
  Sterimol/B4: 4.17537  Sterimol/L: 9.62293 
 
 Surface and Volume Properties
  Accessible surface: 317.033  Positive charged surface: 168.372  Negative charged surface: 148.662  Volume: 133
  Hydrophobic surface: 191.417  Hydrophilic surface: 125.616
 
 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.