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NCID-ZINC01684958

 MMsINC code: MMs02318245
Type: Neutral
Formula: C6H10O6S2
SMILES:   S(SCCC(O)=O)(=O)(=O)CCC(O)=O
InChI:   InChI=1/C6H10O6S2/c7-5(8)1-3-13-14(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.0489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.272 g/mol  logS: -0.56103  SlogP: -0.0012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102225  Sterimol/B1: 3.06956  Sterimol/B2: 3.60891  Sterimol/B3: 3.78923
  Sterimol/B4: 4.27541  Sterimol/L: 12.8332 
 
 Surface and Volume Properties
  Accessible surface: 409.227  Positive charged surface: 205.607  Negative charged surface: 203.619  Volume: 181.875
  Hydrophobic surface: 118.346  Hydrophilic surface: 290.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02318246
NCID-ZINC01684958