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NCID-ZINC01714115

 MMsINC code: MMs02340449
Type: Neutral
Formula: C4H10O5S3
SMILES:   S(O)(=O)(=O)CCCSS(=O)(=O)C
InChI:   InChI=1/C4H10O5S3/c1-11(5,6)10-3-2-4-12(7,8)9/h2-4H2,1H3,(H,7,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.18753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.317 g/mol  logS: -1.02783  SlogP: -0.6086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120072  Sterimol/B1: 2.24483  Sterimol/B2: 3.30539  Sterimol/B3: 4.33173
  Sterimol/B4: 4.45235  Sterimol/L: 12.1103 
 
 Surface and Volume Properties
  Accessible surface: 383.225  Positive charged surface: 167.165  Negative charged surface: 216.06  Volume: 168.625
  Hydrophobic surface: 159.801  Hydrophilic surface: 223.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02340450
NCID-ZINC01714115