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CHEMBLOCK-ZINC01592409

 MMsINC code: MMs00528457
Type: Neutral
Formula: C11H10O4S
SMILES:   S(O)(=O)(=O)c1c2c(cccc2)c(OC)cc1
InChI:   InChI=1/C11H10O4S/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10/h2-7H,1H3,(H,12,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.263 g/mol  logS: -3.36321  SlogP: 1.5294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315443  Sterimol/B1: 2.45966  Sterimol/B2: 3.34854  Sterimol/B3: 3.59867
  Sterimol/B4: 6.58289  Sterimol/L: 11.6634 
 
 Surface and Volume Properties
  Accessible surface: 410.174  Positive charged surface: 219.116  Negative charged surface: 179.966  Volume: 199.625
  Hydrophobic surface: 294.514  Hydrophilic surface: 115.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00528458
CHEMBLOCK-ZINC01592409