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IFLAB-ZINC03865745

 MMsINC code: MMs02005744
Type: Neutral
Formula: C4H8O8S3
SMILES:   S(O)(=O)(=O)C1CS(=O)(=O)CC1S(O)(=O)=O
InChI:   InChI=1/C4H8O8S3/c5-13(6)1-3(14(7,8)9)4(2-13)15(10,11)12/h3-4H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=-25.5751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.298 g/mol  logS: 0.10835  SlogP: -3.2038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235742  Sterimol/B1: 2.47276  Sterimol/B2: 4.27676  Sterimol/B3: 4.28738
  Sterimol/B4: 5.29931  Sterimol/L: 10.4194 
 
 Surface and Volume Properties
  Accessible surface: 368.577  Positive charged surface: 146.49  Negative charged surface: 222.087  Volume: 172.125
  Hydrophobic surface: 92.5096  Hydrophilic surface: 276.0674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs02005745
IFLAB-ZINC03865745