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MDPI-ZINC03844587

 MMsINC code: MMs02177857
Type: Ionized
Formula: C14H10O6S2-2
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)/p-2/b10-9+

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Potential Energy
Epot(MMFF94)=71.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.36 g/mol  logS: -3.87534  SlogP: 1.6652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278781  Sterimol/B1: 2.8682  Sterimol/B2: 3.13239  Sterimol/B3: 3.28526
  Sterimol/B4: 6.87892  Sterimol/L: 14.1215 
 
 Surface and Volume Properties
  Accessible surface: 496.335  Positive charged surface: 165.202  Negative charged surface: 331.133  Volume: 270.5
  Hydrophobic surface: 305.996  Hydrophilic surface: 190.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs02177856
MDPI-ZINC03844587