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ASINEX-ZINC03875553

 MMsINC code: MMs00290917
Type: Neutral
Formula: C14H8O8S2
SMILES:   S(O)(=O)(=O)c1c2c(ccc1)C(=O)c1c(C2=O)c(S(O)(=O)=O)ccc1
InChI:   InChI=1/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)

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Potential Energy
Epot(MMFF94)=74.0747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.342 g/mol  logS: -3.98514  SlogP: -0.176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499985  Sterimol/B1: 2.48952  Sterimol/B2: 3.141  Sterimol/B3: 3.4967
  Sterimol/B4: 6.73374  Sterimol/L: 12.0198 
 
 Surface and Volume Properties
  Accessible surface: 473.23  Positive charged surface: 207.072  Negative charged surface: 266.158  Volume: 265.875
  Hydrophobic surface: 235.644  Hydrophilic surface: 237.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs00290918
ASINEX-ZINC03875553