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MDPI-ZINC03844587

 MMsINC code: MMs02177856
Type: Neutral
Formula: C14H12O6S2
SMILES:   S(O)(=O)(=O)c1ccccc1\C=C\c1ccccc1S(O)(=O)=O
InChI:   InChI=1/C14H12O6S2/c15-21(16,17)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(18,19)20/h1-10H,(H,15,16,17)(H,18,19,20)/b10-9+

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Potential Energy
Epot(MMFF94)=64.8162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.376 g/mol  logS: -3.7323  SlogP: 1.219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188402  Sterimol/B1: 2.56473  Sterimol/B2: 2.61227  Sterimol/B3: 3.17569
  Sterimol/B4: 7.62403  Sterimol/L: 13.3683 
 
 Surface and Volume Properties
  Accessible surface: 519.133  Positive charged surface: 207.811  Negative charged surface: 311.322  Volume: 270.5
  Hydrophobic surface: 304.249  Hydrophilic surface: 214.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02177857
MDPI-ZINC03844587