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NCID-ZINC01715700

 MMsINC code: MMs02341495
Type: Neutral
Formula: C4H10O2S3
SMILES:   S(SSCCO)CCO
InChI:   InChI=1/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.5106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.32 g/mol  logS: -2.38494  SlogP: 1.0006  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0433727  Sterimol/B1: 2.28007  Sterimol/B2: 3.10992  Sterimol/B3: 3.48511
  Sterimol/B4: 3.60722  Sterimol/L: 12.9514 
 
 Surface and Volume Properties
  Accessible surface: 371.297  Positive charged surface: 230.874  Negative charged surface: 114.953  Volume: 156.25
  Hydrophobic surface: 190.429  Hydrophilic surface: 180.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.