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IFLAB-ZINC03865747

 MMsINC code: MMs02005746
Type: Neutral
Formula: C4H8O10S3
SMILES:   S(OC1CS(=O)(=O)CC1OS(O)(=O)=O)(O)(=O)=O
InChI:   InChI=1/C4H8O10S3/c5-15(6)1-3(13-16(7,8)9)4(2-15)14-17(10,11)12/h3-4H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4+

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Potential Energy
Epot(MMFF94)=-13.7234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.296 g/mol  logS: -0.40077  SlogP: -3.3406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159248  Sterimol/B1: 3.07764  Sterimol/B2: 3.75377  Sterimol/B3: 3.75711
  Sterimol/B4: 6.61339  Sterimol/L: 10.8506 
 
 Surface and Volume Properties
  Accessible surface: 409.519  Positive charged surface: 151.285  Negative charged surface: 258.234  Volume: 185.25
  Hydrophobic surface: 86.8923  Hydrophilic surface: 322.6267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02005747
IFLAB-ZINC03865747