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PUBCHEM-ZINC05410819

 MMsINC code: MMs03260321
Type: Neutral
Formula: C5H13NO3S3
SMILES:   S(O)(=O)(=O)CCNCC(S)CS
InChI:   InChI=1/C5H13NO3S3/c7-12(8,9)2-1-6-3-5(11)4-10/h5-6,10-11H,1-4H2,(H,7,8,9)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=9.03519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.361 g/mol  logS: -1.35495  SlogP: -0.8737  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0556708  Sterimol/B1: 3.14134  Sterimol/B2: 3.19939  Sterimol/B3: 3.28747
  Sterimol/B4: 4.48413  Sterimol/L: 14.7589 
 
 Surface and Volume Properties
  Accessible surface: 420.22  Positive charged surface: 232.072  Negative charged surface: 188.148  Volume: 187.5
  Hydrophobic surface: 198.171  Hydrophilic surface: 222.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.