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ACROSORGANICS-ZINC01700071

 MMsINC code: MMs00011357
Type: Neutral
Formula: C10H8O4S
SMILES:   S(O)(=O)(=O)c1c2c(cccc2)c(O)cc1
InChI:   InChI=1/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=43.5701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.236 g/mol  logS: -2.95088  SlogP: 1.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324229  Sterimol/B1: 2.34151  Sterimol/B2: 3.33108  Sterimol/B3: 3.43402
  Sterimol/B4: 6.54677  Sterimol/L: 10.9359 
 
 Surface and Volume Properties
  Accessible surface: 381.14  Positive charged surface: 169.944  Negative charged surface: 200.125  Volume: 182.25
  Hydrophobic surface: 223.449  Hydrophilic surface: 157.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00011358
ACROSORGANICS-ZINC01700071