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NCID-ZINC01628166

 MMsINC code: MMs02273993
Type: Neutral
Formula: C11H10O3S
SMILES:   S(O)(=O)(=O)c1c2c(cccc2)c(cc1)C
InChI:   InChI=1/C11H10O3S/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=45.6165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.264 g/mol  logS: -3.78675  SlogP: 1.82922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357392  Sterimol/B1: 2.52213  Sterimol/B2: 3.04317  Sterimol/B3: 3.35674
  Sterimol/B4: 7.00544  Sterimol/L: 10.983 
 
 Surface and Volume Properties
  Accessible surface: 390.136  Positive charged surface: 176.555  Negative charged surface: 203.083  Volume: 191.375
  Hydrophobic surface: 280.57  Hydrophilic surface: 109.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02273994
NCID-ZINC01628166